N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine

C17H27NO — CID 81396947

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
SMILESCOc1ccccc1[C@@H](C)NC1CC(C)CC(C)C1
InChIInChI=1S/C17H27NO/c1-12-9-13(2)11-15(10-12)18-14(3)16-7-5-6-8-17(16)19-4/h5-8,12-15,18H,9-11H2,1-4H3/t12?,13?,14-,15?/m1/s1
InChIKeyMKNIVWGMQYPSDX-MIGSVPMKSA-N
MW261.41 g/mol
LogP4.17
Rot. Bonds4

About N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine

N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 81396947) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID81396947
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
SMILESCOc1ccccc1[C@@H](C)NC1CC(C)CC(C)C1
InChIInChI=1S/C17H27NO/c1-12-9-13(2)11-15(10-12)18-14(3)16-7-5-6-8-17(16)19-4/h5-8,12-15,18H,9-11H2,1-4H3/t12?,13?,14-,15?/m1/s1
InChIKeyMKNIVWGMQYPSDX-MIGSVPMKSA-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

N-[(1S)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81397729
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751364
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892474
N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine
CID 81397207
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81398024
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 81397921
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113262284
3-ethyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 81397757
N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585233
N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80692056

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine (CID 81396947) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine is COc1ccccc1[C@@H](C)NC1CC(C)CC(C)C1.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is MKNIVWGMQYPSDX-MIGSVPMKSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-9-13(2)11-15(10-12)18-14(3)16-7-5-6-8-17(16)19-4/h5-8,12-15,18H,9-11H2,1-4H3/t12?,13?,14-,15?/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-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-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81396947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).