1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol

C17H20ClNO — CID 79749123

IUPAC1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol
SMILESCc1ccccc1CCNCC(O)c1ccccc1Cl
InChIInChI=1S/C17H20ClNO/c1-13-6-2-3-7-14(13)10-11-19-12-17(20)15-8-4-5-9-16(15)18/h2-9,17,19-20H,10-12H2,1H3
InChIKeyRGDNKAHQEKXCSJ-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.51
Rot. Bonds6

About 1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol

1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol (PubChem CID 79749123) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol
PubChem CID79749123
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol
SMILESCc1ccccc1CCNCC(O)c1ccccc1Cl
InChIInChI=1S/C17H20ClNO/c1-13-6-2-3-7-14(13)10-11-19-12-17(20)15-8-4-5-9-16(15)18/h2-9,17,19-20H,10-12H2,1H3
InChIKeyRGDNKAHQEKXCSJ-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
CID 62315005
(1R)-1-(2-chlorophenyl)-2-[1-(2-methylphenyl)propan-2-ylamino]ethanol
CID 70004278
1-(2-chlorophenyl)-2-(octylamino)ethanol
CID 115567759
1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 54937792
1-[2-(2-methylphenyl)ethylamino]butan-2-ol
CID 79749191
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea
CID 111454036
1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol
CID 113287471
3-hydroxy-4-[2-(2-methylphenyl)ethylamino]butanoic acid
CID 103256406
1-(2-chlorophenyl)-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 80682312
1-(2-chlorophenyl)-2-(3-methylsulfanylbutylamino)ethanol
CID 113493949
[(2-chlorophenyl)-[2-(2-methylphenyl)ethylamino]methyl]phosphonic acid
CID 42950536
1-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanol;hydrochloride
CID 21406688

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol (CID 79749123) is 1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol is Cc1ccccc1CCNCC(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol?
The InChIKey is RGDNKAHQEKXCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13-6-2-3-7-14(13)10-11-19-12-17(20)15-8-4-5-9-16(15)18/h2-9,17,19-20H,10-12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol?
1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol has a molecular weight of 289.81 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol is sourced from PubChem (CID 79749123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).