1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine

C16H25NO — CID 81026200

IUPAC1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1c1cccc(OC)c1
InChIInChI=1S/C16H25NO/c1-17-12-14-7-4-3-5-10-16(14)13-8-6-9-15(11-13)18-2/h6,8-9,11,14,16-17H,3-5,7,10,12H2,1-2H3
InChIKeyPBWTUNFXBTYHCK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.58
Rot. Bonds4

About 1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine

1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine (PubChem CID 81026200) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
PubChem CID81026200
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1c1cccc(OC)c1
InChIInChI=1S/C16H25NO/c1-17-12-14-7-4-3-5-10-16(14)13-8-6-9-15(11-13)18-2/h6,8-9,11,14,16-17H,3-5,7,10,12H2,1-2H3
InChIKeyPBWTUNFXBTYHCK-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]methanamine;N-methylmethanamine
CID 69422945
1-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558345
1-[2-(3-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 53275643
[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420
1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride
CID 22883942
1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine
CID 81027952
2-(3-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 62603851
2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62605139
[2-(3-methoxyphenyl)cyclohexyl]hydrazine
CID 53402469
N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81027960
N-ethyl-2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62604232
1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 103524175

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine (CID 81026200) is 1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine is CNCC1CCCCCC1c1cccc(OC)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine?
The InChIKey is PBWTUNFXBTYHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-17-12-14-7-4-3-5-10-16(14)13-8-6-9-15(11-13)18-2/h6,8-9,11,14,16-17H,3-5,7,10,12H2,1-2H3.
What are the key properties of 1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine?
1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine is sourced from PubChem (CID 81026200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).