(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol

C13H21NO — CID 28723478

IUPAC(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
SMILESCC[C@H](CO)N[C@@H](CC)c1ccccc1
InChIInChI=1S/C13H21NO/c1-3-12(10-15)14-13(4-2)11-8-6-5-7-9-11/h5-9,12-15H,3-4,10H2,1-2H3/t12-,13+/m1/s1
InChIKeyIBHAPVSEXAHHAZ-OLZOCXBDSA-N
MW207.32 g/mol
LogP2.50
Rot. Bonds6

About (2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol

(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol (PubChem CID 28723478) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
PubChem CID28723478
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
SMILESCC[C@H](CO)N[C@@H](CC)c1ccccc1
InChIInChI=1S/C13H21NO/c1-3-12(10-15)14-13(4-2)11-8-6-5-7-9-11/h5-9,12-15H,3-4,10H2,1-2H3/t12-,13+/m1/s1
InChIKeyIBHAPVSEXAHHAZ-OLZOCXBDSA-N
XLogP2.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,3,3-trifluoro-1-phenylpropyl)amino]butan-1-ol
CID 43771162
(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol
CID 104980386
(2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol
CID 103788766
(2R)-2-[(2-methyl-1-phenylpropyl)amino]butan-1-ol
CID 103922515
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187
(2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]butane-1,4-diol
CID 15449405
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
(2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol
CID 104980626
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
CID 103784133
2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol
CID 63260675
N-(1-phenylpropyl)undecan-6-amine
CID 63477274

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol (CID 28723478) is (2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol is CC[C@H](CO)N[C@@H](CC)c1ccccc1.
What is the InChIKey of (2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol?
The InChIKey is IBHAPVSEXAHHAZ-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-12(10-15)14-13(4-2)11-8-6-5-7-9-11/h5-9,12-15H,3-4,10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol?
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol is sourced from PubChem (CID 28723478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).