1-[3-[1-(4-chloro-3-methylphenyl)ethylamino]-4-methylphenyl]ethanol

C18H22ClNO — CID 123702412

IUPAC1-[3-[1-(4-chloro-3-methylphenyl)ethylamino]-4-methylphenyl]ethanol
SMILESCc1cc(C(C)Nc2cc(C(C)O)ccc2C)ccc1Cl
InChIInChI=1S/C18H22ClNO/c1-11-5-6-16(14(4)21)10-18(11)20-13(3)15-7-8-17(19)12(2)9-15/h5-10,13-14,20-21H,1-4H3
InChIKeyLXWSWWYOYIGERW-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.18
Rot. Bonds4

About 1-[3-[1-(4-chloro-3-methylphenyl)ethylamino]-4-methylphenyl]ethanol

1-[3-[1-(4-chloro-3-methylphenyl)ethylamino]-4-methylphenyl]ethanol (PubChem CID 123702412) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-[3-[1-(4-chloro-3-methylphenyl)ethylamino]-4-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[3-[1-(4-chloro-3-methylphenyl)ethylamino]-4-methylphenyl]ethanol
PubChem CID123702412
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-[3-[1-(4-chloro-3-methylphenyl)ethylamino]-4-methylphenyl]ethanol
SMILESCc1cc(C(C)Nc2cc(C(C)O)ccc2C)ccc1Cl
InChIInChI=1S/C18H22ClNO/c1-11-5-6-16(14(4)21)10-18(11)20-13(3)15-7-8-17(19)12(2)9-15/h5-10,13-14,20-21H,1-4H3
InChIKeyLXWSWWYOYIGERW-UHFFFAOYSA-N
XLogP5.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.83
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline
CID 43729562
1-[4-methyl-3-(methylamino)phenyl]ethanol
CID 69041549
2-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-iodoaniline
CID 43733695
5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43102806
1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 115781009
2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline
CID 83076291
N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline
CID 43755252
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine
CID 83164219
5-chloro-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43099949
5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline
CID 83069132
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591194

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(4-chloro-3-methylphenyl)ethylamino]-4-methylphenyl]ethanol?
The IUPAC name of 1-[3-[1-(4-chloro-3-methylphenyl)ethylamino]-4-methylphenyl]ethanol (CID 123702412) is 1-[3-[1-(4-chloro-3-methylphenyl)ethylamino]-4-methylphenyl]ethanol.
What is the SMILES notation for 1-[3-[1-(4-chloro-3-methylphenyl)ethylamino]-4-methylphenyl]ethanol?
The canonical SMILES for 1-[3-[1-(4-chloro-3-methylphenyl)ethylamino]-4-methylphenyl]ethanol is Cc1cc(C(C)Nc2cc(C(C)O)ccc2C)ccc1Cl.
What is the InChIKey of 1-[3-[1-(4-chloro-3-methylphenyl)ethylamino]-4-methylphenyl]ethanol?
The InChIKey is LXWSWWYOYIGERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-11-5-6-16(14(4)21)10-18(11)20-13(3)15-7-8-17(19)12(2)9-15/h5-10,13-14,20-21H,1-4H3.
What are the key properties of 1-[3-[1-(4-chloro-3-methylphenyl)ethylamino]-4-methylphenyl]ethanol?
1-[3-[1-(4-chloro-3-methylphenyl)ethylamino]-4-methylphenyl]ethanol has a molecular weight of 303.83 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(4-chloro-3-methylphenyl)ethylamino]-4-methylphenyl]ethanol is sourced from PubChem (CID 123702412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).