3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol

C18H23NO — CID 65186415

IUPAC3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol
SMILESCc1cc(C)cc(C(O)C(CN)c2ccccc2C)c1
InChIInChI=1S/C18H23NO/c1-12-8-13(2)10-15(9-12)18(20)17(11-19)16-7-5-4-6-14(16)3/h4-10,17-18,20H,11,19H2,1-3H3
InChIKeyCTCPYLPQSCCSCW-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.39
Rot. Bonds4

About 3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol

3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol (PubChem CID 65186415) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol
PubChem CID65186415
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol
SMILESCc1cc(C)cc(C(O)C(CN)c2ccccc2C)c1
InChIInChI=1S/C18H23NO/c1-12-8-13(2)10-15(9-12)18(20)17(11-19)16-7-5-4-6-14(16)3/h4-10,17-18,20H,11,19H2,1-3H3
InChIKeyCTCPYLPQSCCSCW-UHFFFAOYSA-N
XLogP3.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol
CID 65190689
3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol
CID 79206483
3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186124
3-amino-1-(2-fluoro-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 81478773
3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 107984152
1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol
CID 65184879
3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185730
3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
CID 65185130
1-amino-2,5-bis(2-methylphenyl)pentan-3-ol
CID 65186565
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186404
3-amino-2-(3,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65190727
3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65185357

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol (CID 65186415) is 3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol is Cc1cc(C)cc(C(O)C(CN)c2ccccc2C)c1.
What is the InChIKey of 3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol?
The InChIKey is CTCPYLPQSCCSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-8-13(2)10-15(9-12)18(20)17(11-19)16-7-5-4-6-14(16)3/h4-10,17-18,20H,11,19H2,1-3H3.
What are the key properties of 3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol?
3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 65186415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).