4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine

C14H22N2O2 — CID 114252667

IUPAC4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine
SMILESCOc1ccc(C)c(NC2(CN)CCOCC2)c1
InChIInChI=1S/C14H22N2O2/c1-11-3-4-12(17-2)9-13(11)16-14(10-15)5-7-18-8-6-14/h3-4,9,16H,5-8,10,15H2,1-2H3
InChIKeyKMILKZYUPWFIOV-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.92
Rot. Bonds4

About 4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine

4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine (PubChem CID 114252667) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine
PubChem CID114252667
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine
SMILESCOc1ccc(C)c(NC2(CN)CCOCC2)c1
InChIInChI=1S/C14H22N2O2/c1-11-3-4-12(17-2)9-13(11)16-14(10-15)5-7-18-8-6-14/h3-4,9,16H,5-8,10,15H2,1-2H3
InChIKeyKMILKZYUPWFIOV-UHFFFAOYSA-N
XLogP1.92
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine 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

4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
CID 120922268
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine
CID 107573137
4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine
CID 114839044
N-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine
CID 114170144
N-[1-(aminomethyl)cyclopropyl]-2-methylaniline
CID 106661294
N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine
CID 106298028
1-(aminomethyl)-N-(4-methoxyphenyl)cyclooctan-1-amine
CID 65383457
[4-[(2-bromo-5-methoxyphenyl)methyl]oxan-4-yl]methanamine
CID 65326731
[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029
3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine
CID 65378588
4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine
CID 65376671
3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine
CID 65377574

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine (CID 114252667) is 4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine is COc1ccc(C)c(NC2(CN)CCOCC2)c1.
What is the InChIKey of 4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine?
The InChIKey is KMILKZYUPWFIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-3-4-12(17-2)9-13(11)16-14(10-15)5-7-18-8-6-14/h3-4,9,16H,5-8,10,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine?
4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine has a molecular weight of 250.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine is sourced from PubChem (CID 114252667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).