2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine

C21H27NO — CID 21260489

IUPAC2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine
SMILESCOc1cccc(C2CCCCC2NCCc2ccccc2)c1
InChIInChI=1S/C21H27NO/c1-23-19-11-7-10-18(16-19)20-12-5-6-13-21(20)22-15-14-17-8-3-2-4-9-17/h2-4,7-11,16,20-22H,5-6,12-15H2,1H3
InChIKeyISZGQKWFTTZHLG-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.55
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine

2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine (PubChem CID 21260489) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine
PubChem CID21260489
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine
SMILESCOc1cccc(C2CCCCC2NCCc2ccccc2)c1
InChIInChI=1S/C21H27NO/c1-23-19-11-7-10-18(16-19)20-12-5-6-13-21(20)22-15-14-17-8-3-2-4-9-17/h2-4,7-11,16,20-22H,5-6,12-15H2,1H3
InChIKeyISZGQKWFTTZHLG-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62604232
2-(3-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 62603851
[2-(3-methoxyphenyl)cyclohexyl]hydrazine
CID 53402469
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine
CID 63511320
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263
2-benzyl-3-(3-methoxyphenyl)pyrrolidine
CID 62720607
3-[(1S,2R)-2-[2-(3-methoxyphenyl)ethylamino]cyclopentyl]propanoic acid
CID 125471913
2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine
CID 62111265
(1R,9S,15S)-4-methoxy-N-(2-phenylethyl)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
CID 166876938
[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine?
The IUPAC name of 2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine (CID 21260489) is 2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine is COc1cccc(C2CCCCC2NCCc2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine?
The InChIKey is ISZGQKWFTTZHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-23-19-11-7-10-18(16-19)20-12-5-6-13-21(20)22-15-14-17-8-3-2-4-9-17/h2-4,7-11,16,20-22H,5-6,12-15H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine?
2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine has a molecular weight of 309.45 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine is sourced from PubChem (CID 21260489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).