1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol

C18H23NO — CID 62612935

IUPAC1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol
SMILESCc1ccc(N(C)CCC(O)c2ccccc2)c(C)c1
InChIInChI=1S/C18H23NO/c1-14-9-10-17(15(2)13-14)19(3)12-11-18(20)16-7-5-4-6-8-16/h4-10,13,18,20H,11-12H2,1-3H3
InChIKeyJTRNYKSEKHQUOM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.86
Rot. Bonds5

About 1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol

1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol (PubChem CID 62612935) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol.

Molecular Properties

Compound Name1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol
PubChem CID62612935
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol
SMILESCc1ccc(N(C)CCC(O)c2ccccc2)c(C)c1
InChIInChI=1S/C18H23NO/c1-14-9-10-17(15(2)13-14)19(3)12-11-18(20)16-7-5-4-6-8-16/h4-10,13,18,20H,11-12H2,1-3H3
InChIKeyJTRNYKSEKHQUOM-UHFFFAOYSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489443
1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489442
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline
CID 55248017
N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine
CID 62003894
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
1-(4-chlorophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 63493532
1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 63493719
N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide
CID 59648964
1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 63490120
2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64789779
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol?
The IUPAC name of 1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol (CID 62612935) is 1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol.
What is the SMILES notation for 1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol?
The canonical SMILES for 1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol is Cc1ccc(N(C)CCC(O)c2ccccc2)c(C)c1.
What is the InChIKey of 1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol?
The InChIKey is JTRNYKSEKHQUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-9-10-17(15(2)13-14)19(3)12-11-18(20)16-7-5-4-6-8-16/h4-10,13,18,20H,11-12H2,1-3H3.
What are the key properties of 1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol?
1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol is sourced from PubChem (CID 62612935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).