[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine

C17H27NO — CID 81010620

IUPAC[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine
SMILESCOc1ccc(CCC2CCCCCC2CN)cc1
InChIInChI=1S/C17H27NO/c1-19-17-11-8-14(9-12-17)7-10-15-5-3-2-4-6-16(15)13-18/h8-9,11-12,15-16H,2-7,10,13,18H2,1H3
InChIKeyKKPGYUZUWLMERL-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.78
Rot. Bonds5

About [2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine

[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine (PubChem CID 81010620) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine
PubChem CID81010620
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine
SMILESCOc1ccc(CCC2CCCCCC2CN)cc1
InChIInChI=1S/C17H27NO/c1-19-17-11-8-14(9-12-17)7-10-15-5-3-2-4-6-16(15)13-18/h8-9,11-12,15-16H,2-7,10,13,18H2,1H3
InChIKeyKKPGYUZUWLMERL-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine
CID 81011075
N-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine
CID 81027041
3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine
CID 65443041
[2-[4-(2-methoxyethyl)phenoxy]cyclohexyl]methanamine
CID 43294234
2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 13024939
9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol
CID 78144176
[2-(4-methoxyphenyl)sulfanylcyclopentyl]methanamine
CID 43530473
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639912
cyclohexanol;ethane;2-(4-methoxyphenyl)-N,N-dimethylethanamine
CID 143482708
[2-[4-(2-methoxyethyl)phenoxy]cyclopentyl]methanamine
CID 43294230
4-ethyl-2-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 79422404

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine (CID 81010620) is [2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine is COc1ccc(CCC2CCCCCC2CN)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine?
The InChIKey is KKPGYUZUWLMERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-19-17-11-8-14(9-12-17)7-10-15-5-3-2-4-6-16(15)13-18/h8-9,11-12,15-16H,2-7,10,13,18H2,1H3.
What are the key properties of [2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine?
[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine is sourced from PubChem (CID 81010620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).