2-(2-adamantylamino)-3-phenylpropan-1-ol

C19H27NO — CID 63260809

IUPAC2-(2-adamantylamino)-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H27NO/c21-12-18(11-13-4-2-1-3-5-13)20-19-16-7-14-6-15(9-16)10-17(19)8-14/h1-5,14-21H,6-12H2
InChIKeyMLCPYDHDVPCSNW-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.00
Rot. Bonds5

About 2-(2-adamantylamino)-3-phenylpropan-1-ol

2-(2-adamantylamino)-3-phenylpropan-1-ol (PubChem CID 63260809) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(2-adamantylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(2-adamantylamino)-3-phenylpropan-1-ol
PubChem CID63260809
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-(2-adamantylamino)-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H27NO/c21-12-18(11-13-4-2-1-3-5-13)20-19-16-7-14-6-15(9-16)10-17(19)8-14/h1-5,14-21H,6-12H2
InChIKeyMLCPYDHDVPCSNW-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol
CID 102613855
(2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104926199
(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol
CID 102613736
(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104922859
(2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol
CID 102613829
(2S)-2-[(1-oxothian-4-yl)amino]-3-phenylpropan-1-ol
CID 107862384
3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol
CID 115998927
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 63261025
3-phenyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64758826
2-(1-adamantyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 46997008
(2R)-3-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]propan-1-ol
CID 104926144
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S,4S,5S)-3-tricyclo[3.2.1.02,4]octanyl]urea
CID 129435365

Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantylamino)-3-phenylpropan-1-ol?
The IUPAC name of 2-(2-adamantylamino)-3-phenylpropan-1-ol (CID 63260809) is 2-(2-adamantylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-(2-adamantylamino)-3-phenylpropan-1-ol?
The canonical SMILES for 2-(2-adamantylamino)-3-phenylpropan-1-ol is OCC(Cc1ccccc1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-adamantylamino)-3-phenylpropan-1-ol?
The InChIKey is MLCPYDHDVPCSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c21-12-18(11-13-4-2-1-3-5-13)20-19-16-7-14-6-15(9-16)10-17(19)8-14/h1-5,14-21H,6-12H2.
What are the key properties of 2-(2-adamantylamino)-3-phenylpropan-1-ol?
2-(2-adamantylamino)-3-phenylpropan-1-ol has a molecular weight of 285.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 63260809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).