[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol

C15H15Cl2NO — CID 114845317

IUPAC[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol
SMILESCN(Cc1ccc(Cl)cc1)c1cc(Cl)ccc1CO
InChIInChI=1S/C15H15Cl2NO/c1-18(9-11-2-5-13(16)6-3-11)15-8-14(17)7-4-12(15)10-19/h2-8,19H,9-10H2,1H3
InChIKeyHUHOITHOOGUMMB-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.12
Rot. Bonds4

About [4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol

[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol (PubChem CID 114845317) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is [4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol
PubChem CID114845317
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol
SMILESCN(Cc1ccc(Cl)cc1)c1cc(Cl)ccc1CO
InChIInChI=1S/C15H15Cl2NO/c1-18(9-11-2-5-13(16)6-3-11)15-8-14(17)7-4-12(15)10-19/h2-8,19H,9-10H2,1H3
InChIKeyHUHOITHOOGUMMB-UHFFFAOYSA-N
XLogP4.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
CID 61415453
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 114847739
2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861618
2-(2-aminoethyl)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 114861541
5-chloro-2-[(4-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513125
[2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol
CID 114845322
5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848350
2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114860692
2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol
CID 114845855
[2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol
CID 114845222
[4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol
CID 61417217
[4-chloro-2-(N,2,4-trimethylanilino)phenyl]methanol
CID 114845516

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol?
The IUPAC name of [4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol (CID 114845317) is [4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol.
What is the SMILES notation for [4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol?
The canonical SMILES for [4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol is CN(Cc1ccc(Cl)cc1)c1cc(Cl)ccc1CO.
What is the InChIKey of [4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol?
The InChIKey is HUHOITHOOGUMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-18(9-11-2-5-13(16)6-3-11)15-8-14(17)7-4-12(15)10-19/h2-8,19H,9-10H2,1H3.
What are the key properties of [4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol?
[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol has a molecular weight of 296.20 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol is sourced from PubChem (CID 114845317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).