N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine

C17H28N2O2 — CID 104974360

IUPACN-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine
SMILESCOc1cc(C)c(CN(C)C2CCCNCC2)cc1OC
InChIInChI=1S/C17H28N2O2/c1-13-10-16(20-3)17(21-4)11-14(13)12-19(2)15-6-5-8-18-9-7-15/h10-11,15,18H,5-9,12H2,1-4H3
InChIKeySBZZPQRRARWGKJ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.59
Rot. Bonds5

About N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine

N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine (PubChem CID 104974360) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine
PubChem CID104974360
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine
SMILESCOc1cc(C)c(CN(C)C2CCCNCC2)cc1OC
InChIInChI=1S/C17H28N2O2/c1-13-10-16(20-3)17(21-4)11-14(13)12-19(2)15-6-5-8-18-9-7-15/h10-11,15,18H,5-9,12H2,1-4H3
InChIKeySBZZPQRRARWGKJ-UHFFFAOYSA-N
XLogP2.59
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine
CID 117040677
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 83713467
N-[(2-bromo-4-methylphenyl)methyl]-N-methylazepan-4-amine
CID 107172051
N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974374
N-[(2,5-dichlorophenyl)methyl]-N-methylazepan-4-amine
CID 103519944
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643030
1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone
CID 43607598
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63642105
N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974386
N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913258
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine?
The IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine (CID 104974360) is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine.
What is the SMILES notation for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine?
The canonical SMILES for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine is COc1cc(C)c(CN(C)C2CCCNCC2)cc1OC.
What is the InChIKey of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine?
The InChIKey is SBZZPQRRARWGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-10-16(20-3)17(21-4)11-14(13)12-19(2)15-6-5-8-18-9-7-15/h10-11,15,18H,5-9,12H2,1-4H3.
What are the key properties of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine?
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine has a molecular weight of 292.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine is sourced from PubChem (CID 104974360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).