(1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol

C16H17Cl2NO — CID 30980110

IUPAC(1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol
SMILESCN(Cc1ccc(Cl)cc1Cl)C[C@H](O)c1ccccc1
InChIInChI=1S/C16H17Cl2NO/c1-19(10-13-7-8-14(17)9-15(13)18)11-16(20)12-5-3-2-4-6-12/h2-9,16,20H,10-11H2,1H3/t16-/m0/s1
InChIKeyZLYXYVVOVYERBM-INIZCTEOSA-N
MW310.22 g/mol
LogP4.16
Rot. Bonds5

About (1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol

(1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol (PubChem CID 30980110) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is (1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol
PubChem CID30980110
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name(1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol
SMILESCN(Cc1ccc(Cl)cc1Cl)C[C@H](O)c1ccccc1
InChIInChI=1S/C16H17Cl2NO/c1-19(10-13-7-8-14(17)9-15(13)18)11-16(20)12-5-3-2-4-6-12/h2-9,16,20H,10-11H2,1H3/t16-/m0/s1
InChIKeyZLYXYVVOVYERBM-INIZCTEOSA-N
XLogP4.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198677
2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
CID 23883569
N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 115263252
1-(2-tert-butyl-1,1-dioxo-3H-1,2-benzothiazol-6-yl)-2-[(2,4-dichlorophenyl)methyl-methylamino]ethanol
CID 171048996
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol
CID 20766059
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol
CID 61371435
2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid
CID 62638137
(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine
CID 14697965
(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol
CID 40768444
(1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol
CID 2106515
1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258760

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol (CID 30980110) is (1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol is CN(Cc1ccc(Cl)cc1Cl)C[C@H](O)c1ccccc1.
What is the InChIKey of (1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol?
The InChIKey is ZLYXYVVOVYERBM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-19(10-13-7-8-14(17)9-15(13)18)11-16(20)12-5-3-2-4-6-12/h2-9,16,20H,10-11H2,1H3/t16-/m0/s1.
What are the key properties of (1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol?
(1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol has a molecular weight of 310.22 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol is sourced from PubChem (CID 30980110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).