4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline

C16H26ClN — CID 28553794

IUPAC4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline
SMILESCc1cc(Cl)ccc1NC(CC(C)C)CC(C)C
InChIInChI=1S/C16H26ClN/c1-11(2)8-15(9-12(3)4)18-16-7-6-14(17)10-13(16)5/h6-7,10-12,15,18H,8-9H2,1-5H3
InChIKeyLNDXDGNSGMZDOF-UHFFFAOYSA-N
MW267.84 g/mol
LogP5.52
Rot. Bonds6

About 4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline

4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline (PubChem CID 28553794) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline.

Molecular Properties

Compound Name4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline
PubChem CID28553794
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline
SMILESCc1cc(Cl)ccc1NC(CC(C)C)CC(C)C
InChIInChI=1S/C16H26ClN/c1-11(2)8-15(9-12(3)4)18-16-7-6-14(17)10-13(16)5/h6-7,10-12,15,18H,8-9H2,1-5H3
InChIKeyLNDXDGNSGMZDOF-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.84
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dimethylheptan-4-yl)-4-ethoxy-2-methylaniline
CID 63450960
4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43101529
N-(2,6-dimethylheptan-4-yl)-2-fluoro-4-methylaniline
CID 28890755
4-(4-chloro-2-methylanilino)pentan-1-ol
CID 115976044
2-(2-amino-5-chloroanilino)-4-methylpentan-1-ol
CID 115468697
3-(4-chloro-2-methylanilino)butanethioamide
CID 82085018
4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43104795
methyl 2-(4-chloro-2-methylanilino)propanoate
CID 60666871
2,4-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 43104153
4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43093280
4-chloro-2-methyl-N-(2-methylbutyl)aniline
CID 43093539
N'-(4-chloro-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 4066103

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline?
The IUPAC name of 4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline (CID 28553794) is 4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline.
What is the SMILES notation for 4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline?
The canonical SMILES for 4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline is Cc1cc(Cl)ccc1NC(CC(C)C)CC(C)C.
What is the InChIKey of 4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline?
The InChIKey is LNDXDGNSGMZDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-11(2)8-15(9-12(3)4)18-16-7-6-14(17)10-13(16)5/h6-7,10-12,15,18H,8-9H2,1-5H3.
What are the key properties of 4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline?
4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline has a molecular weight of 267.84 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-dimethylheptan-4-yl)-2-methylaniline is sourced from PubChem (CID 28553794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).