2-methyl-5-[(1R,3S)-3-methylcyclohexyl]aniline

C14H21N — CID 125449693

IUPAC2-methyl-5-[(1R,3S)-3-methylcyclohexyl]aniline
SMILESCc1ccc([C@@H]2CCC[C@H](C)C2)cc1N
InChIInChI=1S/C14H21N/c1-10-4-3-5-12(8-10)13-7-6-11(2)14(15)9-13/h6-7,9-10,12H,3-5,8,15H2,1-2H3/t10-,12+/m0/s1
InChIKeyKIUHIXLVCRPLQB-CMPLNLGQSA-N
MW203.33 g/mol
LogP3.87
Rot. Bonds1

About 2-methyl-5-[(1R,3S)-3-methylcyclohexyl]aniline

2-methyl-5-[(1R,3S)-3-methylcyclohexyl]aniline (PubChem CID 125449693) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-methyl-5-[(1R,3S)-3-methylcyclohexyl]aniline.

Molecular Properties

Compound Name2-methyl-5-[(1R,3S)-3-methylcyclohexyl]aniline
PubChem CID125449693
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-methyl-5-[(1R,3S)-3-methylcyclohexyl]aniline
SMILESCc1ccc([C@@H]2CCC[C@H](C)C2)cc1N
InChIInChI=1S/C14H21N/c1-10-4-3-5-12(8-10)13-7-6-11(2)14(15)9-13/h6-7,9-10,12H,3-5,8,15H2,1-2H3/t10-,12+/m0/s1
InChIKeyKIUHIXLVCRPLQB-CMPLNLGQSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(4-methylcyclohexyl)aniline
CID 22895075
2-methyl-5-piperidin-4-ylaniline
CID 105444511
4-methyl-2-[(1S,3R)-3-methylcyclohexyl]aniline
CID 125449977
[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435
2-(3-methylcyclohexyl)aniline
CID 15340119
4-(3-methylcyclohexyl)benzamide
CID 54069897
1-ethenyl-4-(3-methylcyclohexyl)benzene
CID 145419029
2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline
CID 143115116
2-methyl-5-(1-methylpyrrolidin-2-yl)aniline
CID 82279453
2-methyl-5-piperidin-2-ylaniline
CID 55272863
2-methyl-5-[[(3-methylcyclopentyl)amino]methyl]aniline
CID 114547247
N,N-diethyl-3-(3-methylcyclohexyl)aniline
CID 21135110

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1R,3S)-3-methylcyclohexyl]aniline?
The IUPAC name of 2-methyl-5-[(1R,3S)-3-methylcyclohexyl]aniline (CID 125449693) is 2-methyl-5-[(1R,3S)-3-methylcyclohexyl]aniline.
What is the SMILES notation for 2-methyl-5-[(1R,3S)-3-methylcyclohexyl]aniline?
The canonical SMILES for 2-methyl-5-[(1R,3S)-3-methylcyclohexyl]aniline is Cc1ccc([C@@H]2CCC[C@H](C)C2)cc1N.
What is the InChIKey of 2-methyl-5-[(1R,3S)-3-methylcyclohexyl]aniline?
The InChIKey is KIUHIXLVCRPLQB-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H21N/c1-10-4-3-5-12(8-10)13-7-6-11(2)14(15)9-13/h6-7,9-10,12H,3-5,8,15H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of 2-methyl-5-[(1R,3S)-3-methylcyclohexyl]aniline?
2-methyl-5-[(1R,3S)-3-methylcyclohexyl]aniline has a molecular weight of 203.33 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1R,3S)-3-methylcyclohexyl]aniline is sourced from PubChem (CID 125449693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).