2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline

C15H21Cl2N — CID 63418656

IUPAC2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline
SMILESCC1CC(Nc2cc(Cl)ccc2Cl)CC(C)(C)C1
InChIInChI=1S/C15H21Cl2N/c1-10-6-12(9-15(2,3)8-10)18-14-7-11(16)4-5-13(14)17/h4-5,7,10,12,18H,6,8-9H2,1-3H3
InChIKeyNQXWVBMJOUQZLD-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.62
Rot. Bonds2

About 2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline

2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline (PubChem CID 63418656) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline
PubChem CID63418656
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline
SMILESCC1CC(Nc2cc(Cl)ccc2Cl)CC(C)(C)C1
InChIInChI=1S/C15H21Cl2N/c1-10-6-12(9-15(2,3)8-10)18-14-7-11(16)4-5-13(14)17/h4-5,7,10,12,18H,6,8-9H2,1-3H3
InChIKeyNQXWVBMJOUQZLD-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-[(3,3,5-trimethylcyclohexyl)amino]benzonitrile
CID 43681600
5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63450861
4-chloro-3-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43721505
2,6-dichloro-4-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 83077049
2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673817
2,3,5-trifluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63478916
methyl 2-chloro-5-[(3,3,5-trimethylcyclohexyl)amino]benzoate
CID 43672724
N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine
CID 79942146
2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine
CID 118318364
4-bromo-2-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine
CID 130201997
2,5-dichloro-N-(3-methoxycyclobutyl)aniline
CID 106821242
2,4-dichloro-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 112681827

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline?
The IUPAC name of 2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline (CID 63418656) is 2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline.
What is the SMILES notation for 2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline?
The canonical SMILES for 2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline is CC1CC(Nc2cc(Cl)ccc2Cl)CC(C)(C)C1.
What is the InChIKey of 2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline?
The InChIKey is NQXWVBMJOUQZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-10-6-12(9-15(2,3)8-10)18-14-7-11(16)4-5-13(14)17/h4-5,7,10,12,18H,6,8-9H2,1-3H3.
What are the key properties of 2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline?
2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline has a molecular weight of 286.25 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline is sourced from PubChem (CID 63418656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).