N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine

C17H28N2O — CID 65072841

IUPACN-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine
SMILESCOc1ccc(C)cc1NC1CCCN(C(C)C)CC1
InChIInChI=1S/C17H28N2O/c1-13(2)19-10-5-6-15(9-11-19)18-16-12-14(3)7-8-17(16)20-4/h7-8,12-13,15,18H,5-6,9-11H2,1-4H3
InChIKeyXNHVKHWVGHLMSY-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.68
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine

N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine (PubChem CID 65072841) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine
PubChem CID65072841
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine
SMILESCOc1ccc(C)cc1NC1CCCN(C(C)C)CC1
InChIInChI=1S/C17H28N2O/c1-13(2)19-10-5-6-15(9-11-19)18-16-12-14(3)7-8-17(16)20-4/h7-8,12-13,15,18H,5-6,9-11H2,1-4H3
InChIKeyXNHVKHWVGHLMSY-UHFFFAOYSA-N
XLogP3.68
TPSA24.50 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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-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

N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 5131485
1-cyclopropyl-N-(2-methoxy-5-methylphenyl)pyrrolidin-3-amine
CID 55139647
N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072744
N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65073026
N-(5-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65073150
N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098
ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate
CID 43761080
N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185489
N-(2-methoxy-4-methylphenyl)cycloheptanamine
CID 54865924
1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine
CID 62534235
N-(3-bromo-5-chloro-2-methoxyphenyl)-1-propan-2-ylazepan-4-amine
CID 65074357
N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 82761403

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine (CID 65072841) is N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine is COc1ccc(C)cc1NC1CCCN(C(C)C)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine?
The InChIKey is XNHVKHWVGHLMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)19-10-5-6-15(9-11-19)18-16-12-14(3)7-8-17(16)20-4/h7-8,12-13,15,18H,5-6,9-11H2,1-4H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine?
N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65072841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).