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

C19H24ClN — CID 43110651

IUPAC2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
SMILESCc1c(C)c(C)c(C(N)Cc2ccccc2Cl)c(C)c1C
InChIInChI=1S/C19H24ClN/c1-11-12(2)14(4)19(15(5)13(11)3)18(21)10-16-8-6-7-9-17(16)20/h6-9,18H,10,21H2,1-5H3
InChIKeyXBSFDGFCBPVCNJ-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.12
Rot. Bonds3

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

2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine (PubChem CID 43110651) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
PubChem CID43110651
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
SMILESCc1c(C)c(C)c(C(N)Cc2ccccc2Cl)c(C)c1C
InChIInChI=1S/C19H24ClN/c1-11-12(2)14(4)19(15(5)13(11)3)18(21)10-16-8-6-7-9-17(16)20/h6-9,18H,10,21H2,1-5H3
InChIKeyXBSFDGFCBPVCNJ-UHFFFAOYSA-N
XLogP5.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.12
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
5-(2-chlorophenyl)-4-methylpentan-2-amine
CID 64719849
2-(2-chlorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107513256
2-(2-chlorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103433437
2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 65239408
2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine
CID 115796252
2-(2-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 55166211
2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217518
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine
CID 102827153
2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803032
2-(2-chlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 113365589
(2S)-1-(2-chlorophenyl)pentan-2-amine
CID 104932386

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine (CID 43110651) is 2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine is Cc1c(C)c(C)c(C(N)Cc2ccccc2Cl)c(C)c1C.
What is the InChIKey of 2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine?
The InChIKey is XBSFDGFCBPVCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-11-12(2)14(4)19(15(5)13(11)3)18(21)10-16-8-6-7-9-17(16)20/h6-9,18H,10,21H2,1-5H3.
What are the key properties of 2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine?
2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine has a molecular weight of 301.86 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine is sourced from PubChem (CID 43110651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).