(1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol

C20H21NO — CID 101460872

IUPAC(1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol
SMILESC[C@H](NCc1ccc2ccccc2c1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H21NO/c1-15(20(22)18-8-3-2-4-9-18)21-14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13,15,20-22H,14H2,1H3/t15-,20-/m0/s1
InChIKeyWBIMQCYWAVTJTB-YWZLYKJASA-N
MW291.39 g/mol
LogP4.05
Rot. Bonds5

About (1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol

(1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol (PubChem CID 101460872) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol
PubChem CID101460872
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol
SMILESC[C@H](NCc1ccc2ccccc2c1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H21NO/c1-15(20(22)18-8-3-2-4-9-18)21-14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13,15,20-22H,14H2,1H3/t15-,20-/m0/s1
InChIKeyWBIMQCYWAVTJTB-YWZLYKJASA-N
XLogP4.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623
3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
CID 43085087
2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 12999288
3-methyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 54950144
3-ethyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 63843096
4-[2-(benzylamino)-1-hydroxypropyl]phenol
CID 78021980
4-[(1R)-2-(benzylamino)-1-hydroxypropyl]phenol
CID 71176331
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
(2S)-4-methyl-2-(naphthalen-2-ylmethylamino)pentanoic acid
CID 102164167
1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine
CID 113239115
(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
CID 142004415
(1S)-2-naphthalen-2-yl-1-phenylethanol
CID 101378142

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol (CID 101460872) is (1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol is C[C@H](NCc1ccc2ccccc2c1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol?
The InChIKey is WBIMQCYWAVTJTB-YWZLYKJASA-N. The full InChI is InChI=1S/C20H21NO/c1-15(20(22)18-8-3-2-4-9-18)21-14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13,15,20-22H,14H2,1H3/t15-,20-/m0/s1.
What are the key properties of (1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol?
(1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol has a molecular weight of 291.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 101460872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).