1-[1-(4-methylphenyl)propylamino]butan-2-ol

C14H23NO — CID 115899605

IUPAC1-[1-(4-methylphenyl)propylamino]butan-2-ol
SMILESCCC(O)CNC(CC)c1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-4-13(16)10-15-14(5-2)12-8-6-11(3)7-9-12/h6-9,13-16H,4-5,10H2,1-3H3
InChIKeyKIJWVVUFUTVHBN-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.81
Rot. Bonds6

About 1-[1-(4-methylphenyl)propylamino]butan-2-ol

1-[1-(4-methylphenyl)propylamino]butan-2-ol (PubChem CID 115899605) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)propylamino]butan-2-ol.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)propylamino]butan-2-ol
PubChem CID115899605
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[1-(4-methylphenyl)propylamino]butan-2-ol
SMILESCCC(O)CNC(CC)c1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-4-13(16)10-15-14(5-2)12-8-6-11(3)7-9-12/h6-9,13-16H,4-5,10H2,1-3H3
InChIKeyKIJWVVUFUTVHBN-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
CID 93081997
1-[1-(4-bromophenyl)propylamino]butan-2-ol
CID 115899581
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol
CID 112811027
2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
CID 29083030
1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol
CID 138960105
1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
CID 138960082
2-methyl-N-[1-(4-methylphenyl)propyl]-3-methylsulfanylpropan-1-amine
CID 63980863
1-[4-[2-hydroxy-3-[1-(4-methylphenyl)propylamino]propoxy]phenyl]ethanone;hydrochloride
CID 138960102
1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
CID 138960076
1-[1-(4-methylphenyl)propylamino]-3-(4-nitrophenoxy)propan-2-ol
CID 138960109
1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol
CID 107151396

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)propylamino]butan-2-ol?
The IUPAC name of 1-[1-(4-methylphenyl)propylamino]butan-2-ol (CID 115899605) is 1-[1-(4-methylphenyl)propylamino]butan-2-ol.
What is the SMILES notation for 1-[1-(4-methylphenyl)propylamino]butan-2-ol?
The canonical SMILES for 1-[1-(4-methylphenyl)propylamino]butan-2-ol is CCC(O)CNC(CC)c1ccc(C)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)propylamino]butan-2-ol?
The InChIKey is KIJWVVUFUTVHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-13(16)10-15-14(5-2)12-8-6-11(3)7-9-12/h6-9,13-16H,4-5,10H2,1-3H3.
What are the key properties of 1-[1-(4-methylphenyl)propylamino]butan-2-ol?
1-[1-(4-methylphenyl)propylamino]butan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)propylamino]butan-2-ol is sourced from PubChem (CID 115899605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).