2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline

C19H24ClN — CID 107631333

IUPAC2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
SMILESCc1ccc(Cl)c(NC(C)CC(C)(C)c2ccccc2)c1
InChIInChI=1S/C19H24ClN/c1-14-10-11-17(20)18(12-14)21-15(2)13-19(3,4)16-8-6-5-7-9-16/h5-12,15,21H,13H2,1-4H3
InChIKeyJSGQDXMWRWOTIS-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.82
Rot. Bonds5

About 2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline

2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline (PubChem CID 107631333) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
PubChem CID107631333
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
SMILESCc1ccc(Cl)c(NC(C)CC(C)(C)c2ccccc2)c1
InChIInChI=1S/C19H24ClN/c1-14-10-11-17(20)18(12-14)21-15(2)13-19(3,4)16-8-6-5-7-9-16/h5-12,15,21H,13H2,1-4H3
InChIKeyJSGQDXMWRWOTIS-UHFFFAOYSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 82744754
2-chloro-4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 63445453
4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine
CID 83165583
2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 65468772
N-[1-(4-tert-butylphenyl)ethyl]-2-chloro-5-methylaniline
CID 107630912
4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43773231
3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43773347
N-benzyl-2-chloro-5-methylaniline
CID 83290853
N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine
CID 79090233
4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine
CID 134709520
N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline
CID 43759154
2-(2-chloro-5-methylanilino)-2-phenylacetic acid
CID 107636535

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline?
The IUPAC name of 2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline (CID 107631333) is 2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline.
What is the SMILES notation for 2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline?
The canonical SMILES for 2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline is Cc1ccc(Cl)c(NC(C)CC(C)(C)c2ccccc2)c1.
What is the InChIKey of 2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline?
The InChIKey is JSGQDXMWRWOTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-14-10-11-17(20)18(12-14)21-15(2)13-19(3,4)16-8-6-5-7-9-16/h5-12,15,21H,13H2,1-4H3.
What are the key properties of 2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline?
2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline has a molecular weight of 301.86 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline is sourced from PubChem (CID 107631333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).