1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine

C18H29NO — CID 63738232

IUPAC1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine
SMILESCCc1ccc(C(NCC2CCCOC2)C(C)C)cc1
InChIInChI=1S/C18H29NO/c1-4-15-7-9-17(10-8-15)18(14(2)3)19-12-16-6-5-11-20-13-16/h7-10,14,16,18-19H,4-6,11-13H2,1-3H3
InChIKeyVPUPBZHSYIWJSW-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.96
Rot. Bonds6

About 1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine

1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine (PubChem CID 63738232) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine
PubChem CID63738232
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine
SMILESCCc1ccc(C(NCC2CCCOC2)C(C)C)cc1
InChIInChI=1S/C18H29NO/c1-4-15-7-9-17(10-8-15)18(14(2)3)19-12-16-6-5-11-20-13-16/h7-10,14,16,18-19H,4-6,11-13H2,1-3H3
InChIKeyVPUPBZHSYIWJSW-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)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-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 54905602
1-(4-ethylphenyl)-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62654329
N-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine
CID 119164778
(1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine
CID 81354216
N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 54931937
1-(4-chlorophenyl)-N-(cyclohexylmethyl)-2-methylpropan-1-amine
CID 43234095
(1S)-1-(2-chlorophenyl)-N-[[(3R)-oxan-3-yl]methyl]ethanamine
CID 93447506
1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63713345
(4-ethylphenyl)-(oxan-3-yl)methanol
CID 63014910
(3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine
CID 95379352
(3R)-N-[(1S)-1-(4-ethylphenyl)ethyl]oxolan-3-amine
CID 95379351
4-(4-methoxyphenyl)-N-(oxan-3-ylmethyl)butan-2-amine
CID 61020032

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine (CID 63738232) is 1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine is CCc1ccc(C(NCC2CCCOC2)C(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine?
The InChIKey is VPUPBZHSYIWJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-15-7-9-17(10-8-15)18(14(2)3)19-12-16-6-5-11-20-13-16/h7-10,14,16,18-19H,4-6,11-13H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine?
1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 63738232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).