2-phenyl-1-(2-propylanilino)propan-2-ol

C18H23NO — CID 62375007

IUPAC2-phenyl-1-(2-propylanilino)propan-2-ol
SMILESCCCc1ccccc1NCC(C)(O)c1ccccc1
InChIInChI=1S/C18H23NO/c1-3-9-15-10-7-8-13-17(15)19-14-18(2,20)16-11-5-4-6-12-16/h4-8,10-13,19-20H,3,9,14H2,1-2H3
InChIKeyCLYVTNVRYWWTDC-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.96
Rot. Bonds6

About 2-phenyl-1-(2-propylanilino)propan-2-ol

2-phenyl-1-(2-propylanilino)propan-2-ol (PubChem CID 62375007) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-phenyl-1-(2-propylanilino)propan-2-ol.

Molecular Properties

Compound Name2-phenyl-1-(2-propylanilino)propan-2-ol
PubChem CID62375007
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-phenyl-1-(2-propylanilino)propan-2-ol
SMILESCCCc1ccccc1NCC(C)(O)c1ccccc1
InChIInChI=1S/C18H23NO/c1-3-9-15-10-7-8-13-17(15)19-14-18(2,20)16-11-5-4-6-12-16/h4-8,10-13,19-20H,3,9,14H2,1-2H3
InChIKeyCLYVTNVRYWWTDC-UHFFFAOYSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyanilino)-2-phenylpropan-2-ol
CID 62374822
2-[(2-hydroxy-2-phenylpropyl)amino]benzonitrile
CID 55068379
N-(2-fluoroethyl)-2-propylaniline
CID 80695673
N-(4,4-dimethylpentyl)-2-propylaniline
CID 114209394
N-(2-methylidenebutyl)-2-propylaniline
CID 66044507
N-(3-phenylpropyl)-2-propylaniline
CID 43687217
2-[(2-propylanilino)methyl]benzoic acid
CID 103246196
2-methyl-3-(2-propylanilino)propan-1-ol
CID 115872000
1-(4-tert-butylanilino)-2-phenylpropan-2-ol
CID 62373659
2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905071
3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol
CID 59833377
N-[2-(2-propylanilino)ethyl]acetamide
CID 107529290

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(2-propylanilino)propan-2-ol?
The IUPAC name of 2-phenyl-1-(2-propylanilino)propan-2-ol (CID 62375007) is 2-phenyl-1-(2-propylanilino)propan-2-ol.
What is the SMILES notation for 2-phenyl-1-(2-propylanilino)propan-2-ol?
The canonical SMILES for 2-phenyl-1-(2-propylanilino)propan-2-ol is CCCc1ccccc1NCC(C)(O)c1ccccc1.
What is the InChIKey of 2-phenyl-1-(2-propylanilino)propan-2-ol?
The InChIKey is CLYVTNVRYWWTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-9-15-10-7-8-13-17(15)19-14-18(2,20)16-11-5-4-6-12-16/h4-8,10-13,19-20H,3,9,14H2,1-2H3.
What are the key properties of 2-phenyl-1-(2-propylanilino)propan-2-ol?
2-phenyl-1-(2-propylanilino)propan-2-ol has a molecular weight of 269.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(2-propylanilino)propan-2-ol is sourced from PubChem (CID 62375007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).