(2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol

C18H21NO — CID 101210967

IUPAC(2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol
SMILESC=Cc1ccc(CN[C@@H](CO)Cc2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-2-15-8-10-17(11-9-15)13-19-18(14-20)12-16-6-4-3-5-7-16/h2-11,18-20H,1,12-14H2/t18-/m1/s1
InChIKeyALUZKUCCVXOQLF-GOSISDBHSA-N
MW267.37 g/mol
LogP3.02
Rot. Bonds7

About (2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol

(2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 101210967) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol
PubChem CID101210967
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol
SMILESC=Cc1ccc(CN[C@@H](CO)Cc2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-2-15-8-10-17(11-9-15)13-19-18(14-20)12-16-6-4-3-5-7-16/h2-11,18-20H,1,12-14H2/t18-/m1/s1
InChIKeyALUZKUCCVXOQLF-GOSISDBHSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]benzonitrile
CID 102610093
(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922945
2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol
CID 66523313
(2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922947
N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride
CID 173138199
3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
CID 63260593
2-(benzylamino)-3-(3,4-dimethoxyphenyl)propan-1-ol
CID 59712221
2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 63260434
(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
(2S)-2-[(4-bromo-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610133
(2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922916

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol (CID 101210967) is (2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol is C=Cc1ccc(CN[C@@H](CO)Cc2ccccc2)cc1.
What is the InChIKey of (2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is ALUZKUCCVXOQLF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-15-8-10-17(11-9-15)13-19-18(14-20)12-16-6-4-3-5-7-16/h2-11,18-20H,1,12-14H2/t18-/m1/s1.
What are the key properties of (2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol?
(2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 101210967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).