(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol

C18H21NO — CID 102613736

IUPAC(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol
SMILESOC[C@H](Cc1ccccc1)NC1Cc2ccccc2C1
InChIInChI=1S/C18H21NO/c20-13-18(10-14-6-2-1-3-7-14)19-17-11-15-8-4-5-9-16(15)12-17/h1-9,17-20H,10-13H2/t18-/m0/s1
InChIKeyBQKMJYWACORUIQ-SFHVURJKSA-N
MW267.37 g/mol
LogP2.35
Rot. Bonds5

About (2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol

(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol (PubChem CID 102613736) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol
PubChem CID102613736
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol
SMILESOC[C@H](Cc1ccccc1)NC1Cc2ccccc2C1
InChIInChI=1S/C18H21NO/c20-13-18(10-14-6-2-1-3-7-14)19-17-11-15-8-4-5-9-16(15)12-17/h1-9,17-20H,10-13H2/t18-/m0/s1
InChIKeyBQKMJYWACORUIQ-SFHVURJKSA-N
XLogP2.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(1-oxothian-4-yl)amino]-3-phenylpropan-1-ol
CID 107862384
(2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol
CID 102613829
3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol
CID 115998927
(2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104926199
(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol
CID 102613855
(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104922859
(2R)-3-phenyl-2-(piperidin-3-ylamino)propan-1-ol
CID 107860804
(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol
CID 102610255
(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)-2-phenylethanol
CID 103788767
2-(2-adamantylamino)-3-phenylpropan-1-ol
CID 63260809
3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64758826
2-[(5,5-dimethylthian-3-yl)amino]-3-phenylpropan-1-ol
CID 79958163

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol (CID 102613736) is (2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol is OC[C@H](Cc1ccccc1)NC1Cc2ccccc2C1.
What is the InChIKey of (2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol?
The InChIKey is BQKMJYWACORUIQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21NO/c20-13-18(10-14-6-2-1-3-7-14)19-17-11-15-8-4-5-9-16(15)12-17/h1-9,17-20H,10-13H2/t18-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol?
(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 102613736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).