2-(4-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine

C18H22ClN — CID 43337996

IUPAC2-(4-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
SMILESCc1cc(C)c(C)c(C(N)Cc2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H22ClN/c1-11-9-12(2)14(4)18(13(11)3)17(20)10-15-5-7-16(19)8-6-15/h5-9,17H,10,20H2,1-4H3
InChIKeyDTCIMWYESPFAKO-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.82
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine

2-(4-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine (PubChem CID 43337996) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
PubChem CID43337996
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name2-(4-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
SMILESCc1cc(C)c(C)c(C(N)Cc2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H22ClN/c1-11-9-12(2)14(4)18(13(11)3)17(20)10-15-5-7-16(19)8-6-15/h5-9,17H,10,20H2,1-4H3
InChIKeyDTCIMWYESPFAKO-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43103860
2-(4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299082
2-(3-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43110626
1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine
CID 81472195
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534
2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 61077971
2-(4-chlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104441
1-(4-chlorophenyl)propan-2-amine
CID 3127
2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 82883536
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82814538
1-(4-chlorophenyl)pentan-2-amine
CID 60820343
2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol
CID 64989886

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine (CID 43337996) is 2-(4-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine is Cc1cc(C)c(C)c(C(N)Cc2ccc(Cl)cc2)c1C.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine?
The InChIKey is DTCIMWYESPFAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-11-9-12(2)14(4)18(13(11)3)17(20)10-15-5-7-16(19)8-6-15/h5-9,17H,10,20H2,1-4H3.
What are the key properties of 2-(4-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine?
2-(4-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine has a molecular weight of 287.83 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine is sourced from PubChem (CID 43337996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).