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

C16H25NO — CID 102613762

IUPAC(2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol
SMILESCC(CC1CCC1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-13(10-14-8-5-9-14)17-16(12-18)11-15-6-3-2-4-7-15/h2-4,6-7,13-14,16-18H,5,8-12H2,1H3/t13?,16-/m0/s1
InChIKeyDEQHEDSQIIGEEJ-VYIIXAMBSA-N
MW247.38 g/mol
LogP2.76
Rot. Bonds7

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

(2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol (PubChem CID 102613762) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol
PubChem CID102613762
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol
SMILESCC(CC1CCC1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-13(10-14-8-5-9-14)17-16(12-18)11-15-6-3-2-4-7-15/h2-4,6-7,13-14,16-18H,5,8-12H2,1H3/t13?,16-/m0/s1
InChIKeyDEQHEDSQIIGEEJ-VYIIXAMBSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.76
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
(2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid
CID 122037865
2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol
CID 63261055
2-(pentan-2-ylamino)-3-phenylpropan-1-ol
CID 63260839
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
(2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol
CID 103778498
(2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol
CID 102613780
2-benzyl-3-cyclohexylpropan-1-ol
CID 66060213
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 103522475
(2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
CID 104922944
1-cycloheptyl-N-methyl-3-phenylpropan-2-amine
CID 114458143
4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122027588

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol (CID 102613762) is (2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol is CC(CC1CCC1)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of (2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol?
The InChIKey is DEQHEDSQIIGEEJ-VYIIXAMBSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(10-14-8-5-9-14)17-16(12-18)11-15-6-3-2-4-7-15/h2-4,6-7,13-14,16-18H,5,8-12H2,1H3/t13?,16-/m0/s1.
What are the key properties of (2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol?
(2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 102613762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).