5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline

C14H19BrClN — CID 64744650

IUPAC5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline
SMILESCC1CCC(Nc2cc(Br)ccc2Cl)CC1C
InChIInChI=1S/C14H19BrClN/c1-9-3-5-12(7-10(9)2)17-14-8-11(15)4-6-13(14)16/h4,6,8-10,12,17H,3,5,7H2,1-2H3
InChIKeyBEIRYYCWNKPPRU-UHFFFAOYSA-N
MW316.67 g/mol
LogP5.34
Rot. Bonds2

About 5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline

5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline (PubChem CID 64744650) has the molecular formula C14H19BrClN and a molecular weight of 316.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline
PubChem CID64744650
Molecular FormulaC14H19BrClN
Molecular Weight316.67 g/mol
Exact Mass315.04
IUPAC Name5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline
SMILESCC1CCC(Nc2cc(Br)ccc2Cl)CC1C
InChIInChI=1S/C14H19BrClN/c1-9-3-5-12(7-10(9)2)17-14-8-11(15)4-6-13(14)16/h4,6,8-10,12,17H,3,5,7H2,1-2H3
InChIKeyBEIRYYCWNKPPRU-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.67
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine
CID 79461483
5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline
CID 64744839
N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine
CID 79949965
2-chloro-N-(3,4-dimethylcyclohexyl)-5-methylsulfonylaniline
CID 64733775
4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine
CID 79741139
N-(5-bromo-2-chlorophenyl)cycloheptanamine
CID 63477399
N-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466260
N-(5-bromo-2-chlorophenyl)thietan-3-amine
CID 130870688
2-bromo-N-(3,4-dimethylcyclohexyl)aniline
CID 64731596
tert-butyl N-[3-(5-bromo-2-chloroanilino)cyclohexyl]carbamate
CID 103720210
N-(5-bromo-2-chlorophenyl)thian-3-amine
CID 62913384
N-(5-bromo-2-chlorophenyl)piperidin-3-amine
CID 62913938

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline?
The IUPAC name of 5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline (CID 64744650) is 5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline.
What is the SMILES notation for 5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline?
The canonical SMILES for 5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline is CC1CCC(Nc2cc(Br)ccc2Cl)CC1C.
What is the InChIKey of 5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline?
The InChIKey is BEIRYYCWNKPPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN/c1-9-3-5-12(7-10(9)2)17-14-8-11(15)4-6-13(14)16/h4,6,8-10,12,17H,3,5,7H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline?
5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline has a molecular weight of 316.67 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline is sourced from PubChem (CID 64744650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).