N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine

C15H22F2N2 — CID 106528593

IUPACN-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CC1CC1)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C15H22F2N2/c1-10(2)19(9-11-3-4-11)15(8-18)12-5-13(16)7-14(17)6-12/h5-7,10-11,15H,3-4,8-9,18H2,1-2H3
InChIKeyCZIGZHUSEQCUOZ-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.09
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine

N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 106528593) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID106528593
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CC1CC1)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C15H22F2N2/c1-10(2)19(9-11-3-4-11)15(8-18)12-5-13(16)7-14(17)6-12/h5-7,10-11,15H,3-4,8-9,18H2,1-2H3
InChIKeyCZIGZHUSEQCUOZ-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 115526841
N-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 55001014
N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)-N-propan-2-ylethane-1,2-diamine
CID 113457090
N-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 55001111
N-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine
CID 62095329
1-(4-chlorothiophen-2-yl)-N-(cyclopropylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 79428176
N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 106528739
1-(3-chloro-5-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 114453248
2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine
CID 107520427
1-(3,5-difluorophenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 106528519
N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 60985647
1-(3-chloro-5-fluorophenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 114453335

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine (CID 106528593) is N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine is CC(C)N(CC1CC1)C(CN)c1cc(F)cc(F)c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is CZIGZHUSEQCUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-10(2)19(9-11-3-4-11)15(8-18)12-5-13(16)7-14(17)6-12/h5-7,10-11,15H,3-4,8-9,18H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 268.35 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 106528593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).