(3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol

C14H23NO — CID 103871716

IUPAC(3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol
SMILESCC(N[C@H](C)CCO)C(C)c1ccccc1
InChIInChI=1S/C14H23NO/c1-11(9-10-16)15-13(3)12(2)14-7-5-4-6-8-14/h4-8,11-13,15-16H,9-10H2,1-3H3/t11-,12?,13?/m1/s1
InChIKeyGBUONSOJLLGOKT-PNESKVBLSA-N
MW221.34 g/mol
LogP2.54
Rot. Bonds6

About (3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol

(3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol (PubChem CID 103871716) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol
PubChem CID103871716
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol
SMILESCC(N[C@H](C)CCO)C(C)c1ccccc1
InChIInChI=1S/C14H23NO/c1-11(9-10-16)15-13(3)12(2)14-7-5-4-6-8-14/h4-8,11-13,15-16H,9-10H2,1-3H3/t11-,12?,13?/m1/s1
InChIKeyGBUONSOJLLGOKT-PNESKVBLSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-phenylbutan-2-ylamino)propane-1,3-diol
CID 115724145
3-[[(4-fluorophenyl)-phenylmethyl]amino]butan-1-ol
CID 79691997
(4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol
CID 97051530
(2R,3R)-N-benzyl-3-phenylbutan-2-amine
CID 101198951
(2R)-2-[[(1S)-1-phenylethyl]amino]butane-1,4-diol
CID 14041040
N-chloro-3-phenylbutan-2-amine
CID 89161860
3-phenyl-N-prop-2-ynylbutan-2-amine
CID 115706901
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
2-(benzhydrylamino)propan-1-ol
CID 43499566
3-[(4-phenylphenyl)methylamino]butan-1-ol
CID 78998247
2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine
CID 115887797
N-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine
CID 75504500

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol?
The IUPAC name of (3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol (CID 103871716) is (3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol.
What is the SMILES notation for (3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol?
The canonical SMILES for (3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol is CC(N[C@H](C)CCO)C(C)c1ccccc1.
What is the InChIKey of (3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol?
The InChIKey is GBUONSOJLLGOKT-PNESKVBLSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(9-10-16)15-13(3)12(2)14-7-5-4-6-8-14/h4-8,11-13,15-16H,9-10H2,1-3H3/t11-,12?,13?/m1/s1.
What are the key properties of (3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol?
(3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-phenylbutan-2-ylamino)butan-1-ol is sourced from PubChem (CID 103871716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).