(1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol

C14H16ClNO — CID 3246100

IUPAC(1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol
SMILESCN(C)C[C@@H](O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C14H16ClNO/c1-16(2)9-14(17)12-7-8-13(15)11-6-4-3-5-10(11)12/h3-8,14,17H,9H2,1-2H3/t14-/m1/s1
InChIKeyXLDAMPBKFZDRSB-CQSZACIVSA-N
MW249.74 g/mol
LogP3.09
Rot. Bonds3

About (1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol

(1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol (PubChem CID 3246100) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is (1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol
PubChem CID3246100
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name(1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol
SMILESCN(C)C[C@@H](O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C14H16ClNO/c1-16(2)9-14(17)12-7-8-13(15)11-6-4-3-5-10(11)12/h3-8,14,17H,9H2,1-2H3/t14-/m1/s1
InChIKeyXLDAMPBKFZDRSB-CQSZACIVSA-N
XLogP3.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
1-(4-chloronaphthalen-1-yl)-2-methylsulfonylethanol
CID 79597388
1-(4-chloronaphthalen-1-yl)nonan-1-ol
CID 79592377
1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol
CID 15501082
(4-chloronaphthalen-1-yl)-(2-methylphenyl)methanol
CID 79597180
1-(4-chloronaphthalen-1-yl)-2,2,2-trifluoroethanol
CID 79597742
(4-chloronaphthalen-1-yl)-cyclobutylmethanol
CID 79597390
1-chloro-4-(1-chloro-3-methylbutyl)naphthalene
CID 79596838
1-(4-chloronaphthalen-1-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 79597809
1-(4,8-dimethoxynaphthalen-1-yl)-2-(dimethylamino)ethanol;hydrochloride
CID 20541912
4-(4-chloronaphthalen-1-yl)pentanoic acid
CID 113306220
1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene
CID 79597822

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol?
The IUPAC name of (1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol (CID 3246100) is (1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol.
What is the SMILES notation for (1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol?
The canonical SMILES for (1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol is CN(C)C[C@@H](O)c1ccc(Cl)c2ccccc12.
What is the InChIKey of (1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol?
The InChIKey is XLDAMPBKFZDRSB-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-16(2)9-14(17)12-7-8-13(15)11-6-4-3-5-10(11)12/h3-8,14,17H,9H2,1-2H3/t14-/m1/s1.
What are the key properties of (1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol?
(1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol has a molecular weight of 249.74 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol is sourced from PubChem (CID 3246100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).