1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol

C17H20ClNO2 — CID 143373788

IUPAC1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)(CNCCO)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO2/c1-13-2-4-14(5-3-13)17(21,12-19-10-11-20)15-6-8-16(18)9-7-15/h2-9,19-21H,10-12H2,1H3
InChIKeyHTPXGIVXNMEANV-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.47
Rot. Bonds6

About 1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol

1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol (PubChem CID 143373788) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol
PubChem CID143373788
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)(CNCCO)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO2/c1-13-2-4-14(5-3-13)17(21,12-19-10-11-20)15-6-8-16(18)9-7-15/h2-9,19-21H,10-12H2,1H3
InChIKeyHTPXGIVXNMEANV-UHFFFAOYSA-N
XLogP2.47
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol
CID 115216485
1-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60794087
1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene
CID 14985084
2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol
CID 1487207
tert-butyl N-(2-hydroxyethyl)carbamate;1-chloro-4-methylbenzene
CID 145267915
2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol
CID 115216577
2-(3,4-dimethylphenyl)-1-(2-hydroxyethylamino)but-3-en-2-ol
CID 23569255
1-(4-chlorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propan-1-one
CID 54314216
[[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol
CID 115229593
(1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol
CID 71352218
(1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol
CID 7036964
1-chloro-4-methylbenzene;zinc
CID 174694335

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol (CID 143373788) is 1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)(CNCCO)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol?
The InChIKey is HTPXGIVXNMEANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-13-2-4-14(5-3-13)17(21,12-19-10-11-20)15-6-8-16(18)9-7-15/h2-9,19-21H,10-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol?
1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol has a molecular weight of 305.81 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2-hydroxyethylamino)-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 143373788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).