1-(3-phenylpropylamino)butan-2-ol

C13H21NO — CID 60905255

IUPAC1-(3-phenylpropylamino)butan-2-ol
SMILESCCC(O)CNCCCc1ccccc1
InChIInChI=1S/C13H21NO/c1-2-13(15)11-14-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3
InChIKeyKUALWLFNQWZVKS-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.98
Rot. Bonds7

About 1-(3-phenylpropylamino)butan-2-ol

1-(3-phenylpropylamino)butan-2-ol (PubChem CID 60905255) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-phenylpropylamino)butan-2-ol.

Molecular Properties

Compound Name1-(3-phenylpropylamino)butan-2-ol
PubChem CID60905255
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(3-phenylpropylamino)butan-2-ol
SMILESCCC(O)CNCCCc1ccccc1
InChIInChI=1S/C13H21NO/c1-2-13(15)11-14-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3
InChIKeyKUALWLFNQWZVKS-UHFFFAOYSA-N
XLogP1.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate
CID 103239817
1-butoxy-3-(3-phenylpropylamino)propan-2-ol
CID 107262604
2-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
2-chloro-N-(3-phenylpropyl)propan-1-amine
CID 65024000
2-chloro-N-(4-phenylbutyl)butan-1-amine
CID 114334752
1,1-difluoro-3-(4-phenylbutylamino)propan-2-ol
CID 114093415
1-(5-methylhexylamino)-4-phenylbutan-2-ol
CID 90708776
1-[2-(4-fluorophenyl)ethylamino]butan-2-ol
CID 60886872
2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
CID 13011907
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride
CID 117067234
1-[2-(2-methylphenyl)ethylamino]butan-2-ol
CID 79749191

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropylamino)butan-2-ol?
The IUPAC name of 1-(3-phenylpropylamino)butan-2-ol (CID 60905255) is 1-(3-phenylpropylamino)butan-2-ol.
What is the SMILES notation for 1-(3-phenylpropylamino)butan-2-ol?
The canonical SMILES for 1-(3-phenylpropylamino)butan-2-ol is CCC(O)CNCCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropylamino)butan-2-ol?
The InChIKey is KUALWLFNQWZVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-13(15)11-14-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3.
What are the key properties of 1-(3-phenylpropylamino)butan-2-ol?
1-(3-phenylpropylamino)butan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropylamino)butan-2-ol is sourced from PubChem (CID 60905255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).