1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol

C16H18ClNO — CID 60728914

IUPAC1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol
SMILESCc1cccc(CNCC(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClNO/c1-12-3-2-4-13(9-12)10-18-11-16(19)14-5-7-15(17)8-6-14/h2-9,16,18-19H,10-11H2,1H3
InChIKeySSBKKCZYWOQQFM-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.47
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol

1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol (PubChem CID 60728914) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol
PubChem CID60728914
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol
SMILESCc1cccc(CNCC(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClNO/c1-12-3-2-4-13(9-12)10-18-11-16(19)14-5-7-15(17)8-6-14/h2-9,16,18-19H,10-11H2,1H3
InChIKeySSBKKCZYWOQQFM-UHFFFAOYSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
CID 60724900
1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol
CID 62989373
1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 110888261
1-(4-chlorophenyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360889
5-[[[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]methyl]-2-methoxyphenol
CID 94803138
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol
CID 11630418
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 29282807
4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol
CID 103631788
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 62538937

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol (CID 60728914) is 1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol is Cc1cccc(CNCC(O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol?
The InChIKey is SSBKKCZYWOQQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12-3-2-4-13(9-12)10-18-11-16(19)14-5-7-15(17)8-6-14/h2-9,16,18-19H,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol?
1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol has a molecular weight of 275.78 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol is sourced from PubChem (CID 60728914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).