2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine

C18H29NO — CID 81023460

IUPAC2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine
SMILESCCCOc1ccc(C2CCC2CNCC(C)C)cc1
InChIInChI=1S/C18H29NO/c1-4-11-20-17-8-5-15(6-9-17)18-10-7-16(18)13-19-12-14(2)3/h5-6,8-9,14,16,18-19H,4,7,10-13H2,1-3H3
InChIKeySZIPLMIIDLTQFK-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.21
Rot. Bonds8

About 2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine

2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine (PubChem CID 81023460) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine
PubChem CID81023460
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine
SMILESCCCOc1ccc(C2CCC2CNCC(C)C)cc1
InChIInChI=1S/C18H29NO/c1-4-11-20-17-8-5-15(6-9-17)18-10-7-16(18)13-19-12-14(2)3/h5-6,8-9,14,16,18-19H,4,7,10-13H2,1-3H3
InChIKeySZIPLMIIDLTQFK-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]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

Related Compounds

2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine
CID 55210303
N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026728
2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine
CID 81022290
N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 81028785
N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712637
N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81023463
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81023599
N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024275
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131
2-methyl-N-[[2-(2-propoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 104663485
N-[[2-(4-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81018235

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine (CID 81023460) is 2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine is CCCOc1ccc(C2CCC2CNCC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is SZIPLMIIDLTQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-11-20-17-8-5-15(6-9-17)18-10-7-16(18)13-19-12-14(2)3/h5-6,8-9,14,16,18-19H,4,7,10-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine?
2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 81023460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).