2-[(2-methoxy-N-methylanilino)methyl]-N-methylcycloheptan-1-amine

C17H28N2O — CID 62611373

IUPAC2-[(2-methoxy-N-methylanilino)methyl]-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1CN(C)c1ccccc1OC
InChIInChI=1S/C17H28N2O/c1-18-15-10-6-4-5-9-14(15)13-19(2)16-11-7-8-12-17(16)20-3/h7-8,11-12,14-15,18H,4-6,9-10,13H2,1-3H3
InChIKeyGEVZTYPHNGCHIA-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.30
Rot. Bonds5

About 2-[(2-methoxy-N-methylanilino)methyl]-N-methylcycloheptan-1-amine

2-[(2-methoxy-N-methylanilino)methyl]-N-methylcycloheptan-1-amine (PubChem CID 62611373) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[(2-methoxy-N-methylanilino)methyl]-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[(2-methoxy-N-methylanilino)methyl]-N-methylcycloheptan-1-amine
PubChem CID62611373
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[(2-methoxy-N-methylanilino)methyl]-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1CN(C)c1ccccc1OC
InChIInChI=1S/C17H28N2O/c1-18-15-10-6-4-5-9-14(15)13-19(2)16-11-7-8-12-17(16)20-3/h7-8,11-12,14-15,18H,4-6,9-10,13H2,1-3H3
InChIKeyGEVZTYPHNGCHIA-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-methyl-N-[[2-(methylamino)cyclopentyl]methyl]aniline
CID 62611202
N-[[2-(ethylamino)cyclohexyl]methyl]-2-methoxy-N-methylaniline
CID 62614958
5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79856120
2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine
CID 63483965
N,2,4-trimethyl-N-[[2-(methylamino)cyclopentyl]methyl]aniline
CID 62609293
N-methyl-N-[[2-(methylamino)cyclohexyl]methyl]cycloheptanamine
CID 62614949
N-cyclopentyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62562030
2-methoxy-N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline
CID 62430750
2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 116811017
2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494821
6-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclohexan-1-one
CID 79853246
N-cyclobutyl-2-methoxy-N-methylaniline
CID 142063552

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-N-methylanilino)methyl]-N-methylcycloheptan-1-amine?
The IUPAC name of 2-[(2-methoxy-N-methylanilino)methyl]-N-methylcycloheptan-1-amine (CID 62611373) is 2-[(2-methoxy-N-methylanilino)methyl]-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-[(2-methoxy-N-methylanilino)methyl]-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-[(2-methoxy-N-methylanilino)methyl]-N-methylcycloheptan-1-amine is CNC1CCCCCC1CN(C)c1ccccc1OC.
What is the InChIKey of 2-[(2-methoxy-N-methylanilino)methyl]-N-methylcycloheptan-1-amine?
The InChIKey is GEVZTYPHNGCHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-18-15-10-6-4-5-9-14(15)13-19(2)16-11-7-8-12-17(16)20-3/h7-8,11-12,14-15,18H,4-6,9-10,13H2,1-3H3.
What are the key properties of 2-[(2-methoxy-N-methylanilino)methyl]-N-methylcycloheptan-1-amine?
2-[(2-methoxy-N-methylanilino)methyl]-N-methylcycloheptan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-N-methylanilino)methyl]-N-methylcycloheptan-1-amine is sourced from PubChem (CID 62611373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).