2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline

C18H21Cl2N — CID 65468772

IUPAC2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline
SMILESCC(CC(C)(C)c1ccccc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H21Cl2N/c1-13(21-17-15(19)10-7-11-16(17)20)12-18(2,3)14-8-5-4-6-9-14/h4-11,13,21H,12H2,1-3H3
InChIKeyIRCUHZUZELOCRG-UHFFFAOYSA-N
MW322.28 g/mol
LogP6.16
Rot. Bonds5

About 2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline

2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline (PubChem CID 65468772) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline
PubChem CID65468772
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline
SMILESCC(CC(C)(C)c1ccccc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H21Cl2N/c1-13(21-17-15(19)10-7-11-16(17)20)12-18(2,3)14-8-5-4-6-9-14/h4-11,13,21H,12H2,1-3H3
InChIKeyIRCUHZUZELOCRG-UHFFFAOYSA-N
XLogP6.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 63445453
2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 107631333
4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine
CID 83165583
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43773231
3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43773347
3-fluoro-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 63455215
2,6-dichloro-N-(1-phenylethyl)aniline
CID 65467797
N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline
CID 43759154
2,6-dichloro-N-pentan-2-ylaniline
CID 65469888
4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine
CID 81351069
3-[(4-methyl-4-phenylpentan-2-yl)amino]benzonitrile
CID 43762494

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline?
The IUPAC name of 2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline (CID 65468772) is 2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline?
The canonical SMILES for 2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline is CC(CC(C)(C)c1ccccc1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline?
The InChIKey is IRCUHZUZELOCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-13(21-17-15(19)10-7-11-16(17)20)12-18(2,3)14-8-5-4-6-9-14/h4-11,13,21H,12H2,1-3H3.
What are the key properties of 2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline?
2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline has a molecular weight of 322.28 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline is sourced from PubChem (CID 65468772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).