(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol

C14H23NO — CID 102613770

IUPAC(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
SMILESCC(C)C(C)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C14H23NO/c1-11(2)12(3)15-14(10-16)9-13-7-5-4-6-8-13/h4-8,11-12,14-16H,9-10H2,1-3H3/t12?,14-/m0/s1
InChIKeyZZCFUCAABQIIIB-PYMCNQPYSA-N
MW221.34 g/mol
LogP2.22
Rot. Bonds6

About (2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol

(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol (PubChem CID 102613770) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
PubChem CID102613770
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
SMILESCC(C)C(C)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C14H23NO/c1-11(2)12(3)15-14(10-16)9-13-7-5-4-6-8-13/h4-8,11-12,14-16H,9-10H2,1-3H3/t12?,14-/m0/s1
InChIKeyZZCFUCAABQIIIB-PYMCNQPYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
2-(pentan-2-ylamino)-3-phenylpropan-1-ol
CID 63260839
2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile
CID 63261459
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate
CID 63261414
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55168250
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 103522475
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095
(2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 102613868
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594
(2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol
CID 102613780

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol (CID 102613770) is (2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol is CC(C)C(C)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of (2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol?
The InChIKey is ZZCFUCAABQIIIB-PYMCNQPYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)12(3)15-14(10-16)9-13-7-5-4-6-8-13/h4-8,11-12,14-16H,9-10H2,1-3H3/t12?,14-/m0/s1.
What are the key properties of (2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol?
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 102613770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).