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

C13H21NO — CID 28724554

IUPAC(2R)-2-(3-phenylpropylamino)butan-1-ol
SMILESCC[C@H](CO)NCCCc1ccccc1
InChIInChI=1S/C13H21NO/c1-2-13(11-15)14-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3/t13-/m1/s1
InChIKeyYWMDSPSAGSNVBV-CYBMUJFWSA-N
MW207.32 g/mol
LogP1.98
Rot. Bonds7

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

(2R)-2-(3-phenylpropylamino)butan-1-ol (PubChem CID 28724554) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R)-2-(3-phenylpropylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(3-phenylpropylamino)butan-1-ol
PubChem CID28724554
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R)-2-(3-phenylpropylamino)butan-1-ol
SMILESCC[C@H](CO)NCCCc1ccccc1
InChIInChI=1S/C13H21NO/c1-2-13(11-15)14-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3/t13-/m1/s1
InChIKeyYWMDSPSAGSNVBV-CYBMUJFWSA-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

2-(2-phenylethylamino)butan-1-ol
CID 17157372
1-methylsulfanyl-N-(4-phenylbutyl)butan-2-amine
CID 114333568
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
2-(heptylamino)-3-phenylpropan-1-ol
CID 63260589
N'-(6-phenylhexan-3-yl)ethane-1,2-diamine
CID 71061994
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
ethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene
CID 67124964
(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
CID 103922671
methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate
CID 15193085
1-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine
CID 65025981
N-methylmethanamine;3-phenylpropan-1-ol
CID 174893841
(2S)-2-(pentylamino)butan-1-ol
CID 28724748

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-phenylpropylamino)butan-1-ol?
The IUPAC name of (2R)-2-(3-phenylpropylamino)butan-1-ol (CID 28724554) is (2R)-2-(3-phenylpropylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(3-phenylpropylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(3-phenylpropylamino)butan-1-ol is CC[C@H](CO)NCCCc1ccccc1.
What is the InChIKey of (2R)-2-(3-phenylpropylamino)butan-1-ol?
The InChIKey is YWMDSPSAGSNVBV-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-13(11-15)14-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-(3-phenylpropylamino)butan-1-ol?
(2R)-2-(3-phenylpropylamino)butan-1-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 (2R)-2-(3-phenylpropylamino)butan-1-ol is sourced from PubChem (CID 28724554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).