[4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine

C17H28N2O — CID 106785590

IUPAC[4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine
SMILESCOc1cc(CN2CCCC(C)(C)CC2)ccc1CN
InChIInChI=1S/C17H28N2O/c1-17(2)7-4-9-19(10-8-17)13-14-5-6-15(12-18)16(11-14)20-3/h5-6,11H,4,7-10,12-13,18H2,1-3H3
InChIKeyKOMVTCGEWIFGGO-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.17
Rot. Bonds4

About [4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine

[4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine (PubChem CID 106785590) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine
PubChem CID106785590
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine
SMILESCOc1cc(CN2CCCC(C)(C)CC2)ccc1CN
InChIInChI=1S/C17H28N2O/c1-17(2)7-4-9-19(10-8-17)13-14-5-6-15(12-18)16(11-14)20-3/h5-6,11H,4,7-10,12-13,18H2,1-3H3
InChIKeyKOMVTCGEWIFGGO-UHFFFAOYSA-N
XLogP3.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-methylpiperidin-4-ol
CID 106785659
[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 65338758
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol
CID 106785727
5-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenol
CID 82981011
1-[(3-bromo-4-methoxyphenyl)methyl]-4,4-dimethylazepane
CID 65282649
[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 84754851
[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine
CID 106785322
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 106785254
[2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 106785252
1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine
CID 82122424
1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol
CID 106835613
[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine
CID 106785461

Frequently Asked Questions

What is the IUPAC name of [4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine?
The IUPAC name of [4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine (CID 106785590) is [4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine is COc1cc(CN2CCCC(C)(C)CC2)ccc1CN.
What is the InChIKey of [4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine?
The InChIKey is KOMVTCGEWIFGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2)7-4-9-19(10-8-17)13-14-5-6-15(12-18)16(11-14)20-3/h5-6,11H,4,7-10,12-13,18H2,1-3H3.
What are the key properties of [4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine?
[4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine has a molecular weight of 276.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 106785590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).