(1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol

C17H20ClNO — CID 78941055

IUPAC(1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol
SMILESCC(c1ccc(Cl)cc1)N(C)c1ccc([C@@H](C)O)cc1
InChIInChI=1S/C17H20ClNO/c1-12(14-4-8-16(18)9-5-14)19(3)17-10-6-15(7-11-17)13(2)20/h4-13,20H,1-3H3/t12?,13-/m1/s1
InChIKeySZVCCVRIKFQKDH-ZGTCLIOFSA-N
MW289.81 g/mol
LogP4.59
Rot. Bonds4

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

(1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol (PubChem CID 78941055) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol
PubChem CID78941055
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol
SMILESCC(c1ccc(Cl)cc1)N(C)c1ccc([C@@H](C)O)cc1
InChIInChI=1S/C17H20ClNO/c1-12(14-4-8-16(18)9-5-14)19(3)17-10-6-15(7-11-17)13(2)20/h4-13,20H,1-3H3/t12?,13-/m1/s1
InChIKeySZVCCVRIKFQKDH-ZGTCLIOFSA-N
XLogP4.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.59
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-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 121403567
1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol
CID 61415039
4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzenecarbothioamide
CID 81269942
(1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol
CID 63372612
2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 102824202
4-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carbothioamide
CID 62983627
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 62979024
4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde
CID 63535809
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
CID 115366851
N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine
CID 101225058
3-N-[1-(4-chlorophenyl)ethyl]-5-fluoro-3-N-methylbenzene-1,3-diamine
CID 55140660
1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol
CID 22925659

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol (CID 78941055) is (1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol is CC(c1ccc(Cl)cc1)N(C)c1ccc([C@@H](C)O)cc1.
What is the InChIKey of (1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol?
The InChIKey is SZVCCVRIKFQKDH-ZGTCLIOFSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12(14-4-8-16(18)9-5-14)19(3)17-10-6-15(7-11-17)13(2)20/h4-13,20H,1-3H3/t12?,13-/m1/s1.
What are the key properties of (1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol?
(1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol has a molecular weight of 289.81 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol is sourced from PubChem (CID 78941055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).