3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol

C15H15Cl2NO — CID 60790186

IUPAC3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol
SMILESCC(NCc1cc(Cl)cc(Cl)c1)c1cccc(O)c1
InChIInChI=1S/C15H15Cl2NO/c1-10(12-3-2-4-15(19)7-12)18-9-11-5-13(16)8-14(17)6-11/h2-8,10,18-19H,9H2,1H3
InChIKeyGIDZQRSVNMNSQS-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.55
Rot. Bonds4

About 3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol

3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol (PubChem CID 60790186) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol
PubChem CID60790186
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol
SMILESCC(NCc1cc(Cl)cc(Cl)c1)c1cccc(O)c1
InChIInChI=1S/C15H15Cl2NO/c1-10(12-3-2-4-15(19)7-12)18-9-11-5-13(16)8-14(17)6-11/h2-8,10,18-19H,9H2,1H3
InChIKeyGIDZQRSVNMNSQS-UHFFFAOYSA-N
XLogP4.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727
3-[1-[(4-chloro-2-fluorophenyl)methylamino]ethyl]phenol
CID 114842006
3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol
CID 43202444
3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol
CID 43205609
3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol
CID 79978926
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 43221156
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348826
4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide
CID 43791628
1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 54940014
1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine
CID 114452325
3-[1-[(2-chloro-4-fluorophenyl)methylamino]ethyl]phenol
CID 103792956
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol?
The IUPAC name of 3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol (CID 60790186) is 3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol is CC(NCc1cc(Cl)cc(Cl)c1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol?
The InChIKey is GIDZQRSVNMNSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10(12-3-2-4-15(19)7-12)18-9-11-5-13(16)8-14(17)6-11/h2-8,10,18-19H,9H2,1H3.
What are the key properties of 3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol?
3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol has a molecular weight of 296.20 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol is sourced from PubChem (CID 60790186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).