3-[2-(4-chlorophenyl)ethyl-methylamino]-2-methyl-2,3-dihydro-1H-inden-1-ol

C19H22ClNO — CID 54060432

IUPAC3-[2-(4-chlorophenyl)ethyl-methylamino]-2-methyl-2,3-dihydro-1H-inden-1-ol
SMILESCC1C(O)c2ccccc2C1N(C)CCc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO/c1-13-18(16-5-3-4-6-17(16)19(13)22)21(2)12-11-14-7-9-15(20)10-8-14/h3-10,13,18-19,22H,11-12H2,1-2H3
InChIKeyLZICEIUYPUZPEE-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.24
Rot. Bonds4

About 3-[2-(4-chlorophenyl)ethyl-methylamino]-2-methyl-2,3-dihydro-1H-inden-1-ol

3-[2-(4-chlorophenyl)ethyl-methylamino]-2-methyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 54060432) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethyl-methylamino]-2-methyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethyl-methylamino]-2-methyl-2,3-dihydro-1H-inden-1-ol
PubChem CID54060432
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name3-[2-(4-chlorophenyl)ethyl-methylamino]-2-methyl-2,3-dihydro-1H-inden-1-ol
SMILESCC1C(O)c2ccccc2C1N(C)CCc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO/c1-13-18(16-5-3-4-6-17(16)19(13)22)21(2)12-11-14-7-9-15(20)10-8-14/h3-10,13,18-19,22H,11-12H2,1-2H3
InChIKeyLZICEIUYPUZPEE-UHFFFAOYSA-N
XLogP4.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 111122688
N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115263462
N-[2-(4-chlorophenyl)ethyl]-N-methyloxan-4-amine
CID 56860101
N-[2-(4-chlorophenyl)ethyl]-N-(2-phenylethyl)propan-1-amine
CID 11370098
1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane
CID 144747733
3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 65486887
N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
CID 4651725
2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258974
(2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 15427638
2-(4-chlorophenyl)-N,N-dimethoxyethanamine
CID 142794565
N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide
CID 115166656
4-[2-(4-chlorophenyl)ethyl-methylamino]butanoic acid
CID 115218768

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)ethyl-methylamino]-2-methyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 3-[2-(4-chlorophenyl)ethyl-methylamino]-2-methyl-2,3-dihydro-1H-inden-1-ol (CID 54060432) is 3-[2-(4-chlorophenyl)ethyl-methylamino]-2-methyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethyl-methylamino]-2-methyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethyl-methylamino]-2-methyl-2,3-dihydro-1H-inden-1-ol is CC1C(O)c2ccccc2C1N(C)CCc1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethyl-methylamino]-2-methyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is LZICEIUYPUZPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-13-18(16-5-3-4-6-17(16)19(13)22)21(2)12-11-14-7-9-15(20)10-8-14/h3-10,13,18-19,22H,11-12H2,1-2H3.
What are the key properties of 3-[2-(4-chlorophenyl)ethyl-methylamino]-2-methyl-2,3-dihydro-1H-inden-1-ol?
3-[2-(4-chlorophenyl)ethyl-methylamino]-2-methyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 315.84 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)ethyl-methylamino]-2-methyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 54060432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).