1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine

C18H24F4N2 — CID 155146223

IUPAC1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CN(CC1CC1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H24F4N2/c1-16(2,23)11-24(10-12-3-4-12)17(7-8-17)13-5-6-15(19)14(9-13)18(20,21)22/h5-6,9,12H,3-4,7-8,10-11,23H2,1-2H3
InChIKeyBICRYTDMNDZQKM-UHFFFAOYSA-N
MW344.40 g/mol
LogP4.28
Rot. Bonds6

About 1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine

1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine (PubChem CID 155146223) has the molecular formula C18H24F4N2 and a molecular weight of 344.40 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine
PubChem CID155146223
Molecular FormulaC18H24F4N2
Molecular Weight344.40 g/mol
Exact Mass344.19
IUPAC Name1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CN(CC1CC1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H24F4N2/c1-16(2,23)11-24(10-12-3-4-12)17(7-8-17)13-5-6-15(19)14(9-13)18(20,21)22/h5-6,9,12H,3-4,7-8,10-11,23H2,1-2H3
InChIKeyBICRYTDMNDZQKM-UHFFFAOYSA-N
XLogP4.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine with MolForge

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Related Compounds

N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide
CID 155146424
methyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate
CID 155699161
1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine
CID 162371808
1-N-cyclopropyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine
CID 162371815
(3,5-Bis-trifluoromethyl-benzyl)-[1-(methylamino-phenyl-methyl)-cyclopropyl]-amine
CID 10001148
(2-Amino-1-(3-(trifluoromethyl)phenyl)ethyl)dimethylamine
CID 16788367
2-[3,5-Bis(trifluoromethyl)phenyl]-1,4,7,10-tetrazacyclododecane
CID 44453719
N*1*-Ethyl-N*1*-(3-trifluoromethyl-benzyl)-ethane-1,2-diamine
CID 61350858
[2-(Dimethylamino)ethyl]({[3-(trifluoromethyl)phenyl]methyl})amine
CID 16773347
1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine
CID 155146323
N-[(1-aminocyclopropyl)methyl]-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide
CID 155146368
(1R,2S)-N1-(1-(4-fluoro-3-(trifluoromethyl)phenyl)cyclopropyl)-cyclopentane-1,2-diamine
CID 155146516

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine (CID 155146223) is 1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine is CC(C)(N)CN(CC1CC1)C1(c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine?
The InChIKey is BICRYTDMNDZQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F4N2/c1-16(2,23)11-24(10-12-3-4-12)17(7-8-17)13-5-6-15(19)14(9-13)18(20,21)22/h5-6,9,12H,3-4,7-8,10-11,23H2,1-2H3.
What are the key properties of 1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine?
1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine has a molecular weight of 344.40 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 155146223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).