N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine

C17H27NO — CID 81376200

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
SMILESCOc1cccc([C@@H](C)NC2C(C)CCCC2C)c1
InChIInChI=1S/C17H27NO/c1-12-7-5-8-13(2)17(12)18-14(3)15-9-6-10-16(11-15)19-4/h6,9-14,17-18H,5,7-8H2,1-4H3/t12?,13?,14-,17?/m1/s1
InChIKeyXCNWRLBKWPHMRO-OPFKTAGGSA-N
MW261.41 g/mol
LogP4.17
Rot. Bonds4

About N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine

N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine (PubChem CID 81376200) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
PubChem CID81376200
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
SMILESCOc1cccc([C@@H](C)NC2C(C)CCCC2C)c1
InChIInChI=1S/C17H27NO/c1-12-7-5-8-13(2)17(12)18-14(3)15-9-6-10-16(11-15)19-4/h6,9-14,17-18H,5,7-8H2,1-4H3/t12?,13?,14-,17?/m1/s1
InChIKeyXCNWRLBKWPHMRO-OPFKTAGGSA-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-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 81375875
N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113250286
3-[1-(3-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066771
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724
methane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium
CID 158360272
N-[1-(3-methoxyphenyl)ethyl]thian-4-amine
CID 54863730
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine
CID 81375713
N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine
CID 83229346
4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106126753
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine (CID 81376200) is N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine is COc1cccc([C@@H](C)NC2C(C)CCCC2C)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine?
The InChIKey is XCNWRLBKWPHMRO-OPFKTAGGSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-7-5-8-13(2)17(12)18-14(3)15-9-6-10-16(11-15)19-4/h6,9-14,17-18H,5,7-8H2,1-4H3/t12?,13?,14-,17?/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine?
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-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-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81376200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).