1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine

C16H23F2N — CID 107515341

IUPAC1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
SMILESCCC1(C(NC)c2ccc(C)c(F)c2F)CCCC1
InChIInChI=1S/C16H23F2N/c1-4-16(9-5-6-10-16)15(19-3)12-8-7-11(2)13(17)14(12)18/h7-8,15,19H,4-6,9-10H2,1-3H3
InChIKeyIDXYRLQJTXKRCU-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.50
Rot. Bonds4

About 1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine

1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine (PubChem CID 107515341) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
PubChem CID107515341
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
SMILESCCC1(C(NC)c2ccc(C)c(F)c2F)CCCC1
InChIInChI=1S/C16H23F2N/c1-4-16(9-5-6-10-16)15(19-3)12-8-7-11(2)13(17)14(12)18/h7-8,15,19H,4-6,9-10H2,1-3H3
InChIKeyIDXYRLQJTXKRCU-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 107513876
1-(2-chloro-4,5-difluorophenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 107476268
N-[(2,6-difluoro-3-methylphenyl)-(1-ethylcyclopentyl)methyl]propan-1-amine
CID 105027220
N-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 115852769
1-[(2,3-difluoro-4-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 107516442
[1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol
CID 116959084
1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol
CID 107513043
1-(1-ethylcyclopentyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854871
1-(1-ethylcyclopentyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105021283
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
1-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 116958764
1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106682086

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine (CID 107515341) is 1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine is CCC1(C(NC)c2ccc(C)c(F)c2F)CCCC1.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
The InChIKey is IDXYRLQJTXKRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-4-16(9-5-6-10-16)15(19-3)12-8-7-11(2)13(17)14(12)18/h7-8,15,19H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine?
1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine has a molecular weight of 267.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 107515341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).