1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine

C17H27NO — CID 55091680

IUPAC1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1C)C1CCCCCC1
InChIInChI=1S/C17H27NO/c1-13-12-15(19-3)10-11-16(13)17(18-2)14-8-6-4-5-7-9-14/h10-12,14,17-18H,4-9H2,1-3H3
InChIKeyBBKQYQRFOUOTIX-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.23
Rot. Bonds4

About 1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine

1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine (PubChem CID 55091680) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
PubChem CID55091680
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1C)C1CCCCCC1
InChIInChI=1S/C17H27NO/c1-13-12-15(19-3)10-11-16(13)17(18-2)14-8-6-4-5-7-9-14/h10-12,14,17-18H,4-9H2,1-3H3
InChIKeyBBKQYQRFOUOTIX-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-methoxy-1-(4-methoxy-2-methylphenyl)-N-methylethanamine
CID 116771624
1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980955
1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753668
N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 65313720
1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 103395598
N-cyclohexyl-4-methoxy-2-methylaniline
CID 62867173
1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589052
1-(5-bromo-2-methoxy-4-methylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65433147
1-cyclobutyl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481696
1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 62800106
N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
CID 60787800
1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 104991936

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine (CID 55091680) is 1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine is CNC(c1ccc(OC)cc1C)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The InChIKey is BBKQYQRFOUOTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-12-15(19-3)10-11-16(13)17(18-2)14-8-6-4-5-7-9-14/h10-12,14,17-18H,4-9H2,1-3H3.
What are the key properties of 1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine has a molecular weight of 261.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 55091680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).