1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine

C16H23F2N — CID 107514366

IUPAC1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccc(C)c(F)c1F)C1CC1
InChIInChI=1S/C16H23F2N/c1-3-10-19-14(12-6-7-12)9-8-13-5-4-11(2)15(17)16(13)18/h4-5,12,14,19H,3,6-10H2,1-2H3
InChIKeyAADVSXAFZJXLRS-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.98
Rot. Bonds7

About 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine

1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine (PubChem CID 107514366) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine
PubChem CID107514366
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccc(C)c(F)c1F)C1CC1
InChIInChI=1S/C16H23F2N/c1-3-10-19-14(12-6-7-12)9-8-13-5-4-11(2)15(17)16(13)18/h4-5,12,14,19H,3,6-10H2,1-2H3
InChIKeyAADVSXAFZJXLRS-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-ethylpropan-1-amine
CID 107514365
1-cyclopropyl-3-(2,4-dichlorophenyl)-N-propylpropan-1-amine
CID 63401428
N-[2-(4-fluoro-2-methylphenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114347799
3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 63355212
3-(4-bromo-2-nitrophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 114382016
1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine
CID 63355442
N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 61482130
3-(2-bromo-4-nitrophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 63354973
1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114346516
1-cyclopropyl-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63355250
1-cyclopropyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105157131
N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine
CID 55095503

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine (CID 107514366) is 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine is CCCNC(CCc1ccc(C)c(F)c1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine?
The InChIKey is AADVSXAFZJXLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-3-10-19-14(12-6-7-12)9-8-13-5-4-11(2)15(17)16(13)18/h4-5,12,14,19H,3,6-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine?
1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 107514366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).