N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine

C17H27NO — CID 81375875

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
SMILESCOc1cccc([C@H](C)NC2CCC(C)CC2C)c1
InChIInChI=1S/C17H27NO/c1-12-8-9-17(13(2)10-12)18-14(3)15-6-5-7-16(11-15)19-4/h5-7,11-14,17-18H,8-10H2,1-4H3/t12?,13?,14-,17?/m0/s1
InChIKeyKROBGBGIPSXGEX-XJIRZWNVSA-N
MW261.41 g/mol
LogP4.17
Rot. Bonds4

About N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine

N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 81375875) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID81375875
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
SMILESCOc1cccc([C@H](C)NC2CCC(C)CC2C)c1
InChIInChI=1S/C17H27NO/c1-12-8-9-17(13(2)10-12)18-14(3)15-6-5-7-16(11-15)19-4/h5-7,11-14,17-18H,8-10H2,1-4H3/t12?,13?,14-,17?/m0/s1
InChIKeyKROBGBGIPSXGEX-XJIRZWNVSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine
CID 64762616
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 81382365
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 81370541
N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 63994085
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 81376200
N-[1-(3-methoxyphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43195069
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
2,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349071
N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113250286
[2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol
CID 103729783
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81376823
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine (CID 81375875) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine is COc1cccc([C@H](C)NC2CCC(C)CC2C)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is KROBGBGIPSXGEX-XJIRZWNVSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-8-9-17(13(2)10-12)18-14(3)15-6-5-7-16(11-15)19-4/h5-7,11-14,17-18H,8-10H2,1-4H3/t12?,13?,14-,17?/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81375875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).