(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol

C14H21NO — CID 103784069

IUPAC(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
SMILESCC(CC1CC1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C14H21NO/c1-11(9-12-7-8-12)15-14(10-16)13-5-3-2-4-6-13/h2-6,11-12,14-16H,7-10H2,1H3/t11?,14-/m1/s1
InChIKeyUBAOROSYDHVYCW-SBXXRYSUSA-N
MW219.33 g/mol
LogP2.50
Rot. Bonds6

About (2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol

(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol (PubChem CID 103784069) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
PubChem CID103784069
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
SMILESCC(CC1CC1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C14H21NO/c1-11(9-12-7-8-12)15-14(10-16)13-5-3-2-4-6-13/h2-6,11-12,14-16H,7-10H2,1H3/t11?,14-/m1/s1
InChIKeyUBAOROSYDHVYCW-SBXXRYSUSA-N
XLogP2.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
CID 79539961
2-(1-cyclopentylethylamino)-2-phenylethanol
CID 63182560
(2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol
CID 107862315
(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
(2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol
CID 103784139
(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol
CID 113350842
4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid
CID 107862309
(2R)-2-(heptan-2-ylamino)-2-phenylethanol
CID 103788664
(2R)-2-(4-methoxybutan-2-ylamino)-2-phenylethanol
CID 103788815
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
CID 103784113

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol?
The IUPAC name of (2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol (CID 103784069) is (2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol.
What is the SMILES notation for (2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol?
The canonical SMILES for (2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol is CC(CC1CC1)N[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol?
The InChIKey is UBAOROSYDHVYCW-SBXXRYSUSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(9-12-7-8-12)15-14(10-16)13-5-3-2-4-6-13/h2-6,11-12,14-16H,7-10H2,1H3/t11?,14-/m1/s1.
What are the key properties of (2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol?
(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol has a molecular weight of 219.33 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 (2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol is sourced from PubChem (CID 103784069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).