4-[[2-chloro-2-(4-chlorophenyl)ethyl]-methylamino]phenol

C15H15Cl2NO — CID 82214480

IUPAC4-[[2-chloro-2-(4-chlorophenyl)ethyl]-methylamino]phenol
SMILESCN(CC(Cl)c1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H15Cl2NO/c1-18(13-6-8-14(19)9-7-13)10-15(17)11-2-4-12(16)5-3-11/h2-9,15,19H,10H2,1H3
InChIKeyBYYYDMNNAQZYSU-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.46
Rot. Bonds4

About 4-[[2-chloro-2-(4-chlorophenyl)ethyl]-methylamino]phenol

4-[[2-chloro-2-(4-chlorophenyl)ethyl]-methylamino]phenol (PubChem CID 82214480) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 4-[[2-chloro-2-(4-chlorophenyl)ethyl]-methylamino]phenol.

Molecular Properties

Compound Name4-[[2-chloro-2-(4-chlorophenyl)ethyl]-methylamino]phenol
PubChem CID82214480
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name4-[[2-chloro-2-(4-chlorophenyl)ethyl]-methylamino]phenol
SMILESCN(CC(Cl)c1ccc(Cl)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H15Cl2NO/c1-18(13-6-8-14(19)9-7-13)10-15(17)11-2-4-12(16)5-3-11/h2-9,15,19H,10H2,1H3
InChIKeyBYYYDMNNAQZYSU-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]-methylamino]phenol
CID 82215347
4-[methyl(2-methylpropyl)amino]phenol
CID 57245584
4-chloro-N-(2,2-dimethoxyethyl)-N-methylaniline
CID 139970905
4-[1-chloro-2-(dimethylamino)ethyl]-N,N-dimethylaniline
CID 82215480
4-[(4-chlorophenyl)-(2,2-dimethylhydrazinyl)methyl]phenol
CID 83005626
4-[[2-aminoethyl(methyl)amino]-(4-chlorophenyl)methyl]phenol
CID 62682556
4-chlorophenol
CID 4684
1-(4-chloro-N-methylanilino)-4-(methylamino)butan-2-ol
CID 112514513
1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol
CID 61415039
4-(1-chloro-3-methylbutyl)phenol
CID 175072121
3-amino-4-(4-chloro-N-methylanilino)butanoic acid
CID 115241545
1-[4-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935182

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-2-(4-chlorophenyl)ethyl]-methylamino]phenol?
The IUPAC name of 4-[[2-chloro-2-(4-chlorophenyl)ethyl]-methylamino]phenol (CID 82214480) is 4-[[2-chloro-2-(4-chlorophenyl)ethyl]-methylamino]phenol.
What is the SMILES notation for 4-[[2-chloro-2-(4-chlorophenyl)ethyl]-methylamino]phenol?
The canonical SMILES for 4-[[2-chloro-2-(4-chlorophenyl)ethyl]-methylamino]phenol is CN(CC(Cl)c1ccc(Cl)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[[2-chloro-2-(4-chlorophenyl)ethyl]-methylamino]phenol?
The InChIKey is BYYYDMNNAQZYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-18(13-6-8-14(19)9-7-13)10-15(17)11-2-4-12(16)5-3-11/h2-9,15,19H,10H2,1H3.
What are the key properties of 4-[[2-chloro-2-(4-chlorophenyl)ethyl]-methylamino]phenol?
4-[[2-chloro-2-(4-chlorophenyl)ethyl]-methylamino]phenol has a molecular weight of 296.20 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-2-(4-chlorophenyl)ethyl]-methylamino]phenol is sourced from PubChem (CID 82214480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).