2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline

C16H25FN2 — CID 55189609

IUPAC2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline
SMILESCC1CCCCC1N(C)c1ccc(F)cc1[C@H](C)N
InChIInChI=1S/C16H25FN2/c1-11-6-4-5-7-15(11)19(3)16-9-8-13(17)10-14(16)12(2)18/h8-12,15H,4-7,18H2,1-3H3/t11?,12-,15?/m0/s1
InChIKeyKGMQWHCSAOTRSV-AVERBVTBSA-N
MW264.39 g/mol
LogP3.86
Rot. Bonds3

About 2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline

2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline (PubChem CID 55189609) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline
PubChem CID55189609
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline
SMILESCC1CCCCC1N(C)c1ccc(F)cc1[C@H](C)N
InChIInChI=1S/C16H25FN2/c1-11-6-4-5-7-15(11)19(3)16-9-8-13(17)10-14(16)12(2)18/h8-12,15H,4-7,18H2,1-3H3/t11?,12-,15?/m0/s1
InChIKeyKGMQWHCSAOTRSV-AVERBVTBSA-N
XLogP3.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylcyclohexyl)aniline
CID 78935534
N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739979
2-(difluoromethyl)-1-N-methyl-1-N-(2-methylcyclohexyl)benzene-1,4-diamine
CID 63734627
2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63368344
2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
CID 43188896
1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol
CID 43614231
2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55190464
2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 78935127
4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline
CID 55004836
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43570188
2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline
CID 82972417
1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine
CID 63114870

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline?
The IUPAC name of 2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline (CID 55189609) is 2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline is CC1CCCCC1N(C)c1ccc(F)cc1[C@H](C)N.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline?
The InChIKey is KGMQWHCSAOTRSV-AVERBVTBSA-N. The full InChI is InChI=1S/C16H25FN2/c1-11-6-4-5-7-15(11)19(3)16-9-8-13(17)10-14(16)12(2)18/h8-12,15H,4-7,18H2,1-3H3/t11?,12-,15?/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline?
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline has a molecular weight of 264.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline is sourced from PubChem (CID 55189609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).