N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine

C16H25NO — CID 66430141

IUPACN-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccc(OC)cc2)CCC1C
InChIInChI=1S/C16H25NO/c1-4-11-17-12-16(10-9-13(16)2)14-5-7-15(18-3)8-6-14/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyHGQDUSVYSKUXAS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.36
Rot. Bonds6

About N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine

N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine (PubChem CID 66430141) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
PubChem CID66430141
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccc(OC)cc2)CCC1C
InChIInChI=1S/C16H25NO/c1-4-11-17-12-16(10-9-13(16)2)14-5-7-15(18-3)8-6-14/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyHGQDUSVYSKUXAS-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine (CID 66430141) is N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine is CCCNCC1(c2ccc(OC)cc2)CCC1C.
What is the InChIKey of N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
The InChIKey is HGQDUSVYSKUXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-11-17-12-16(10-9-13(16)2)14-5-7-15(18-3)8-6-14/h5-8,13,17H,4,9-12H2,1-3H3.
What are the key properties of N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 66430141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).