1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol

C16H18ClNO — CID 61415039

IUPAC1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol
SMILESCC(O)c1ccc(N(C)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO/c1-12(19)14-5-9-16(10-6-14)18(2)11-13-3-7-15(17)8-4-13/h3-10,12,19H,11H2,1-2H3
InChIKeyDWCGPUHLTCLZQM-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.03
Rot. Bonds4

About 1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol

1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol (PubChem CID 61415039) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol
PubChem CID61415039
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol
SMILESCC(O)c1ccc(N(C)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO/c1-12(19)14-5-9-16(10-6-14)18(2)11-13-3-7-15(17)8-4-13/h3-10,12,19H,11H2,1-2H3
InChIKeyDWCGPUHLTCLZQM-UHFFFAOYSA-N
XLogP4.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline
CID 61415085
1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol
CID 22925659
(1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78941055
4-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212691
(1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
CID 63371061
(1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol
CID 55183379
1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 62909049
(1R)-1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 63371054
1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 61412978
(1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol
CID 78940853
(1R)-1-[4-[(4-bromophenyl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 63370984
1-[4-[butyl(methyl)amino]phenyl]ethanol
CID 43505960

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol?
The IUPAC name of 1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol (CID 61415039) is 1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol is CC(O)c1ccc(N(C)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol?
The InChIKey is DWCGPUHLTCLZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12(19)14-5-9-16(10-6-14)18(2)11-13-3-7-15(17)8-4-13/h3-10,12,19H,11H2,1-2H3.
What are the key properties of 1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol?
1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol has a molecular weight of 275.78 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol is sourced from PubChem (CID 61415039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).