2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol

C18H22ClNO — CID 60896560

IUPAC2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CNCc2ccccc2Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-13(2)14-7-9-15(10-8-14)18(21)12-20-11-16-5-3-4-6-17(16)19/h3-10,13,18,20-21H,11-12H2,1-2H3
InChIKeyAJQSBUOLNLUCBR-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.29
Rot. Bonds6

About 2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol

2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 60896560) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol
PubChem CID60896560
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CNCc2ccccc2Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-13(2)14-7-9-15(10-8-14)18(21)12-20-11-16-5-3-4-6-17(16)19/h3-10,13,18,20-21H,11-12H2,1-2H3
InChIKeyAJQSBUOLNLUCBR-UHFFFAOYSA-N
XLogP4.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine
CID 54803306
(1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 27153591
3-[(2-chlorophenyl)methylamino]propane-1,2-diol
CID 57229220
N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107875777
2-[(2-chloro-4-fluorophenyl)methylamino]-1-phenylethanol
CID 43393572
(1R)-1-(4-chlorophenyl)-2-[1-(2-chlorophenyl)propan-2-ylamino]ethanol
CID 70002682
methyl 3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 43398429
methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 93035184
2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 64681384
2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 64569516
2-chloro-6-[(2-hydroxypropylamino)methyl]phenol
CID 112553929

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol (CID 60896560) is 2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(O)CNCc2ccccc2Cl)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is AJQSBUOLNLUCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-13(2)14-7-9-15(10-8-14)18(21)12-20-11-16-5-3-4-6-17(16)19/h3-10,13,18,20-21H,11-12H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol?
2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 303.83 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 60896560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).