[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine

C17H27NO — CID 80603141

IUPAC[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
SMILESCOc1cccc(CC2(CN)CCCCCCC2)c1
InChIInChI=1S/C17H27NO/c1-19-16-9-7-8-15(12-16)13-17(14-18)10-5-3-2-4-6-11-17/h7-9,12H,2-6,10-11,13-14,18H2,1H3
InChIKeyFJUIPCRLZHOUHV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.93
Rot. Bonds4

About [1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine

[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine (PubChem CID 80603141) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine.

Molecular Properties

Compound Name[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
PubChem CID80603141
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
SMILESCOc1cccc(CC2(CN)CCCCCCC2)c1
InChIInChI=1S/C17H27NO/c1-19-16-9-7-8-15(12-16)13-17(14-18)10-5-3-2-4-6-11-17/h7-9,12H,2-6,10-11,13-14,18H2,1H3
InChIKeyFJUIPCRLZHOUHV-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene
CID 66034461
1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one
CID 116614341
N-[[1-[(3-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 62724802
1-[(3-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 82129111
1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69477572
[1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine
CID 116929036
(1-benzylcycloheptyl)methanamine
CID 65391702
(1-benzylcyclooctyl)methanamine
CID 80602159
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine
CID 115244164
N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194679
1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80611133
1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene
CID 84720329

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine?
The IUPAC name of [1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine (CID 80603141) is [1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine.
What is the SMILES notation for [1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine?
The canonical SMILES for [1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine is COc1cccc(CC2(CN)CCCCCCC2)c1.
What is the InChIKey of [1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine?
The InChIKey is FJUIPCRLZHOUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-19-16-9-7-8-15(12-16)13-17(14-18)10-5-3-2-4-6-11-17/h7-9,12H,2-6,10-11,13-14,18H2,1H3.
What are the key properties of [1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine?
[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine is sourced from PubChem (CID 80603141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).