N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine

C16H24F2N2 — CID 115526841

IUPACN-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CC1CC1)C(CN)c1cccc(C(F)F)c1
InChIInChI=1S/C16H24F2N2/c1-11(2)20(10-12-6-7-12)15(9-19)13-4-3-5-14(8-13)16(17)18/h3-5,8,11-12,15-16H,6-7,9-10,19H2,1-2H3
InChIKeyHEBRLJUOVQBJPX-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.74
Rot. Bonds7

About N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine

N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine (PubChem CID 115526841) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine
PubChem CID115526841
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CC1CC1)C(CN)c1cccc(C(F)F)c1
InChIInChI=1S/C16H24F2N2/c1-11(2)20(10-12-6-7-12)15(9-19)13-4-3-5-14(8-13)16(17)18/h3-5,8,11-12,15-16H,6-7,9-10,19H2,1-2H3
InChIKeyHEBRLJUOVQBJPX-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 55001014
N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 106528593
N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 113328796
N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)-N-propan-2-ylethane-1,2-diamine
CID 113457090
N-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine
CID 62095329
N-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 55001111
1-(4-chlorothiophen-2-yl)-N-(cyclopropylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 79428176
1-(3-chlorophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265560
1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265571
1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 115526828
N-(2-cyclopropylethyl)-1-[3-(difluoromethyl)phenyl]ethane-1,2-diamine
CID 115526938
3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide
CID 62778447

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine (CID 115526841) is N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine is CC(C)N(CC1CC1)C(CN)c1cccc(C(F)F)c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine?
The InChIKey is HEBRLJUOVQBJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-11(2)20(10-12-6-7-12)15(9-19)13-4-3-5-14(8-13)16(17)18/h3-5,8,11-12,15-16H,6-7,9-10,19H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine?
N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine has a molecular weight of 282.38 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 115526841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).