1-(2-benzylanilino)propan-2-ol

C16H19NO — CID 60884761

IUPAC1-(2-benzylanilino)propan-2-ol
SMILESCC(O)CNc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H19NO/c1-13(18)12-17-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13,17-18H,11-12H2,1H3
InChIKeyBUPMFDBQJDGZCA-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.07
Rot. Bonds5

About 1-(2-benzylanilino)propan-2-ol

1-(2-benzylanilino)propan-2-ol (PubChem CID 60884761) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2-benzylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-benzylanilino)propan-2-ol
PubChem CID60884761
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(2-benzylanilino)propan-2-ol
SMILESCC(O)CNc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H19NO/c1-13(18)12-17-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13,17-18H,11-12H2,1H3
InChIKeyBUPMFDBQJDGZCA-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-N-(2-benzylphenyl)propane-1,2-diamine
CID 112736608
2-benzyl-N-(2-methylpentyl)aniline
CID 43093994
1-[2-(aminomethyl)anilino]propan-2-ol
CID 22693601
1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine
CID 62254062
2-benzyl-N-propan-2-ylaniline
CID 13262632
N'-(2-benzylphenyl)-2-propylpropane-1,3-diamine
CID 65232660
N-(2-benzylphenyl)thiohydroxylamine
CID 88608695
N-(2-benzylphenyl)hydroxylamine
CID 3014197
1-(2-benzylphenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473126
2-(2-benzylanilino)-N-methylpropanamide
CID 43085479
(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
2-benzyl-N-pentan-3-ylaniline
CID 29272087

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylanilino)propan-2-ol?
The IUPAC name of 1-(2-benzylanilino)propan-2-ol (CID 60884761) is 1-(2-benzylanilino)propan-2-ol.
What is the SMILES notation for 1-(2-benzylanilino)propan-2-ol?
The canonical SMILES for 1-(2-benzylanilino)propan-2-ol is CC(O)CNc1ccccc1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylanilino)propan-2-ol?
The InChIKey is BUPMFDBQJDGZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13(18)12-17-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13,17-18H,11-12H2,1H3.
What are the key properties of 1-(2-benzylanilino)propan-2-ol?
1-(2-benzylanilino)propan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylanilino)propan-2-ol is sourced from PubChem (CID 60884761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).