1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine

C17H25NO2 — CID 106657148

IUPAC1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(C1=CCCCCC1)c1cccc(OC)c1OC
InChIInChI=1S/C17H25NO2/c1-18-16(13-9-6-4-5-7-10-13)14-11-8-12-15(19-2)17(14)20-3/h8-9,11-12,16,18H,4-7,10H2,1-3H3
InChIKeyURLSLSYDSZGORH-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.85
Rot. Bonds5

About 1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine

1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 106657148) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine
PubChem CID106657148
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(C1=CCCCCC1)c1cccc(OC)c1OC
InChIInChI=1S/C17H25NO2/c1-18-16(13-9-6-4-5-7-10-13)14-11-8-12-15(19-2)17(14)20-3/h8-9,11-12,16,18H,4-7,10H2,1-3H3
InChIKeyURLSLSYDSZGORH-UHFFFAOYSA-N
XLogP3.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 106656781
1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 106656528
1-[(1E)-cycloocten-1-yl]-1-[2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 106656311
1-(4-bromo-2-methoxyphenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 115368980
1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 62079581
1-(4-chloro-2-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 62077826
1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477313
1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 55034371
1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 105090742
cyclohexen-1-yl-(4-methoxynaphthalen-1-yl)methanol
CID 106651325
1-[(1E)-cycloocten-1-yl]-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107947117
1-(2-bromo-5-methylphenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 81109444

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine (CID 106657148) is 1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine is CNC(C1=CCCCCC1)c1cccc(OC)c1OC.
What is the InChIKey of 1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is URLSLSYDSZGORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18-16(13-9-6-4-5-7-10-13)14-11-8-12-15(19-2)17(14)20-3/h8-9,11-12,16,18H,4-7,10H2,1-3H3.
What are the key properties of 1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine?
1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 275.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 106657148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).