(2S)-4-(methylamino)-3-naphthalen-2-yl-2-phenylbutan-1-ol

C21H23NO — CID 86288442

IUPAC(2S)-4-(methylamino)-3-naphthalen-2-yl-2-phenylbutan-1-ol
SMILESCNCC(c1ccc2ccccc2c1)[C@H](CO)c1ccccc1
InChIInChI=1S/C21H23NO/c1-22-14-20(21(15-23)17-8-3-2-4-9-17)19-12-11-16-7-5-6-10-18(16)13-19/h2-13,20-23H,14-15H2,1H3/t20?,21-/m1/s1
InChIKeyCUSKZMGSNSWKJU-BPGUCPLFSA-N
MW305.42 g/mol
LogP3.92
Rot. Bonds6

About (2S)-4-(methylamino)-3-naphthalen-2-yl-2-phenylbutan-1-ol

(2S)-4-(methylamino)-3-naphthalen-2-yl-2-phenylbutan-1-ol (PubChem CID 86288442) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S)-4-(methylamino)-3-naphthalen-2-yl-2-phenylbutan-1-ol.

Molecular Properties

Compound Name(2S)-4-(methylamino)-3-naphthalen-2-yl-2-phenylbutan-1-ol
PubChem CID86288442
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(2S)-4-(methylamino)-3-naphthalen-2-yl-2-phenylbutan-1-ol
SMILESCNCC(c1ccc2ccccc2c1)[C@H](CO)c1ccccc1
InChIInChI=1S/C21H23NO/c1-22-14-20(21(15-23)17-8-3-2-4-9-17)19-12-11-16-7-5-6-10-18(16)13-19/h2-13,20-23H,14-15H2,1H3/t20?,21-/m1/s1
InChIKeyCUSKZMGSNSWKJU-BPGUCPLFSA-N
XLogP3.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-3-(Methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631904
(1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol
CID 11630988
(1R,2R)-3-(methylamino)-2-(naphthalen-2-yl)-1-phenylpropan-1-ol
CID 20631901
1-Methyl-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol
CID 68673872
4-(6-(2-Hydroxy-2-(methylamino)ethyl)naphthalen-2-yl)benzonitrile
CID 44440872
(2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride
CID 45262335
(2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride
CID 45262357
(1R,2R)-3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
CID 45265245
(1R,2R)-3-amino-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
CID 45265255
(2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)-3-(2-phenylpropoxy)propan-2-ol
CID 46891263
(2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)-3-(1-phenylpropan-2-yloxy)propan-2-ol
CID 46891320
4-(2-Methoxy-1-naphthalen-2-ylethyl)piperidine;hydrochloride
CID 73349057

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(methylamino)-3-naphthalen-2-yl-2-phenylbutan-1-ol?
The IUPAC name of (2S)-4-(methylamino)-3-naphthalen-2-yl-2-phenylbutan-1-ol (CID 86288442) is (2S)-4-(methylamino)-3-naphthalen-2-yl-2-phenylbutan-1-ol.
What is the SMILES notation for (2S)-4-(methylamino)-3-naphthalen-2-yl-2-phenylbutan-1-ol?
The canonical SMILES for (2S)-4-(methylamino)-3-naphthalen-2-yl-2-phenylbutan-1-ol is CNCC(c1ccc2ccccc2c1)[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-4-(methylamino)-3-naphthalen-2-yl-2-phenylbutan-1-ol?
The InChIKey is CUSKZMGSNSWKJU-BPGUCPLFSA-N. The full InChI is InChI=1S/C21H23NO/c1-22-14-20(21(15-23)17-8-3-2-4-9-17)19-12-11-16-7-5-6-10-18(16)13-19/h2-13,20-23H,14-15H2,1H3/t20?,21-/m1/s1.
What are the key properties of (2S)-4-(methylamino)-3-naphthalen-2-yl-2-phenylbutan-1-ol?
(2S)-4-(methylamino)-3-naphthalen-2-yl-2-phenylbutan-1-ol has a molecular weight of 305.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(methylamino)-3-naphthalen-2-yl-2-phenylbutan-1-ol is sourced from PubChem (CID 86288442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).