4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine

C14H21BrN2 — CID 65343384

IUPAC4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine
SMILESCCC1CCC(Nc2cc(Br)ccc2N)CC1
InChIInChI=1S/C14H21BrN2/c1-2-10-3-6-12(7-4-10)17-14-9-11(15)5-8-13(14)16/h5,8-10,12,17H,2-4,6-7,16H2,1H3
InChIKeyYNAOWUWCXVLEFI-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.41
Rot. Bonds3

About 4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine

4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine (PubChem CID 65343384) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine
PubChem CID65343384
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine
SMILESCCC1CCC(Nc2cc(Br)ccc2N)CC1
InChIInChI=1S/C14H21BrN2/c1-2-10-3-6-12(7-4-10)17-14-9-11(15)5-8-13(14)16/h5,8-10,12,17H,2-4,6-7,16H2,1H3
InChIKeyYNAOWUWCXVLEFI-UHFFFAOYSA-N
XLogP4.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-N-(3-ethylcyclohexyl)benzene-1,2-diamine
CID 65342365
4-bromo-2-N-(4,4-dimethylcyclohexyl)benzene-1,2-diamine
CID 65342799
2,5-dibromo-N-(3-ethylcyclopentyl)aniline
CID 64501925
4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide
CID 63357473
N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine
CID 65083314
4-N-(4-ethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 54955577
4-bromo-2-N-(1-methylpyrrolidin-3-yl)benzene-1,2-diamine
CID 65343279
N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine
CID 81292619
4-fluoro-2-N-(4-propylcyclohexyl)benzene-1,2-diamine
CID 62376796
4-bromo-2-N-(1-ethylpiperidin-3-yl)benzene-1,2-diamine
CID 65343642
1-N-(4-ethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 54955528
4-bromo-2-N-(2,2-diethyloxan-4-yl)benzene-1,2-diamine
CID 83027025

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine (CID 65343384) is 4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine is CCC1CCC(Nc2cc(Br)ccc2N)CC1.
What is the InChIKey of 4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine?
The InChIKey is YNAOWUWCXVLEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-2-10-3-6-12(7-4-10)17-14-9-11(15)5-8-13(14)16/h5,8-10,12,17H,2-4,6-7,16H2,1H3.
What are the key properties of 4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine?
4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine has a molecular weight of 297.24 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine is sourced from PubChem (CID 65343384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).