(4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol

C13H21NO — CID 97051530

IUPAC(4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol
SMILESC[C@H](CCCO)N[C@@H](C)c1ccccc1
InChIInChI=1S/C13H21NO/c1-11(7-6-10-15)14-12(2)13-8-4-3-5-9-13/h3-5,8-9,11-12,14-15H,6-7,10H2,1-2H3/t11-,12+/m1/s1
InChIKeyZCROSAJANLGJHL-NEPJUHHUSA-N
MW207.32 g/mol
LogP2.50
Rot. Bonds6

About (4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol

(4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol (PubChem CID 97051530) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name(4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol
PubChem CID97051530
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol
SMILESC[C@H](CCCO)N[C@@H](C)c1ccccc1
InChIInChI=1S/C13H21NO/c1-11(7-6-10-15)14-12(2)13-8-4-3-5-9-13/h3-5,8-9,11-12,14-15H,6-7,10H2,1-2H3/t11-,12+/m1/s1
InChIKeyZCROSAJANLGJHL-NEPJUHHUSA-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

Analyze (4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol with MolForge

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Related Compounds

N-(1-phenylethyl)hexan-2-amine
CID 43755937
(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
CID 97051673
5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine
CID 81350765
(2R)-2-[[(1S)-1-phenylethyl]amino]butane-1,4-diol
CID 14041040
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
3-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63868252
N,N-diethyl-4-[(1R)-1-[[(2R)-5-hydroxypentan-2-yl]amino]ethyl]benzenesulfonamide
CID 97233261
(4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol
CID 99849214
N-(1-phenylethyl)-5-pyridin-3-ylpentan-2-amine
CID 70358697
(3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol
CID 103871716
4-(benzylamino)pentan-1-ol
CID 75356500
(4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol
CID 97051651

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol?
The IUPAC name of (4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol (CID 97051530) is (4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol.
What is the SMILES notation for (4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol?
The canonical SMILES for (4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol is C[C@H](CCCO)N[C@@H](C)c1ccccc1.
What is the InChIKey of (4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol?
The InChIKey is ZCROSAJANLGJHL-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(7-6-10-15)14-12(2)13-8-4-3-5-9-13/h3-5,8-9,11-12,14-15H,6-7,10H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol?
(4R)-4-[[(1S)-1-phenylethyl]amino]pentan-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 (4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol is sourced from PubChem (CID 97051530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).