N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine

C18H29N — CID 64731101

IUPACN-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)C1CC(C)CC(C)C1
InChIInChI=1S/C18H29N/c1-5-19-18(17-9-7-6-8-15(17)4)16-11-13(2)10-14(3)12-16/h6-9,13-14,16,18-19H,5,10-12H2,1-4H3
InChIKeyFJLBCDUQRAIHNM-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.72
Rot. Bonds4

About N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine

N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine (PubChem CID 64731101) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine
PubChem CID64731101
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)C1CC(C)CC(C)C1
InChIInChI=1S/C18H29N/c1-5-19-18(17-9-7-6-8-15(17)4)16-11-13(2)10-14(3)12-16/h6-9,13-14,16,18-19H,5,10-12H2,1-4H3
InChIKeyFJLBCDUQRAIHNM-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105154308
N-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 104989036
N-[(3,5-dimethylcyclohexyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 104988970
N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 104988838
N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563797
1-(3,5-dimethylcyclohexyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115533801
N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 64730112
1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096970
N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035798
N-[(3,5-dimethylcyclohexyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755408
N-[(3,5-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 64731117
N-[(3,5-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
CID 64728497

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine (CID 64731101) is N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine is CCNC(c1ccccc1C)C1CC(C)CC(C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine?
The InChIKey is FJLBCDUQRAIHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-19-18(17-9-7-6-8-15(17)4)16-11-13(2)10-14(3)12-16/h6-9,13-14,16,18-19H,5,10-12H2,1-4H3.
What are the key properties of N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine?
N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 64731101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).