2-bromo-1-N-[(1-ethylcyclopentyl)methyl]-5-methylbenzene-1,4-diamine

C15H23BrN2 — CID 114124625

IUPAC2-bromo-1-N-[(1-ethylcyclopentyl)methyl]-5-methylbenzene-1,4-diamine
SMILESCCC1(CNc2cc(C)c(N)cc2Br)CCCC1
InChIInChI=1S/C15H23BrN2/c1-3-15(6-4-5-7-15)10-18-14-8-11(2)13(17)9-12(14)16/h8-9,18H,3-7,10,17H2,1-2H3
InChIKeyABHQWMDPIPCIIF-UHFFFAOYSA-N
MW311.27 g/mol
LogP4.72
Rot. Bonds4

About 2-bromo-1-N-[(1-ethylcyclopentyl)methyl]-5-methylbenzene-1,4-diamine

2-bromo-1-N-[(1-ethylcyclopentyl)methyl]-5-methylbenzene-1,4-diamine (PubChem CID 114124625) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-bromo-1-N-[(1-ethylcyclopentyl)methyl]-5-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-bromo-1-N-[(1-ethylcyclopentyl)methyl]-5-methylbenzene-1,4-diamine
PubChem CID114124625
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name2-bromo-1-N-[(1-ethylcyclopentyl)methyl]-5-methylbenzene-1,4-diamine
SMILESCCC1(CNc2cc(C)c(N)cc2Br)CCCC1
InChIInChI=1S/C15H23BrN2/c1-3-15(6-4-5-7-15)10-18-14-8-11(2)13(17)9-12(14)16/h8-9,18H,3-7,10,17H2,1-2H3
InChIKeyABHQWMDPIPCIIF-UHFFFAOYSA-N
XLogP4.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.72
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

1-N-[(1-ethylcyclopentyl)methyl]-2,6-difluorobenzene-1,4-diamine
CID 114124647
4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide
CID 114107376
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline
CID 115245582
4-bromo-5-fluoro-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]benzene-1,2-diamine
CID 116736120
[1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol
CID 115555162
[1-[(2-amino-5-bromo-4-fluoroanilino)methyl]cyclohexyl]methanol
CID 116736218
[1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol
CID 115358053
[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022
N-[(1-ethylcyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 103764979
2-bromo-5-methyl-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,4-diamine
CID 114159601
4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide
CID 114108124
2-bromo-1-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzene-1,4-diamine
CID 106037606

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-N-[(1-ethylcyclopentyl)methyl]-5-methylbenzene-1,4-diamine?
The IUPAC name of 2-bromo-1-N-[(1-ethylcyclopentyl)methyl]-5-methylbenzene-1,4-diamine (CID 114124625) is 2-bromo-1-N-[(1-ethylcyclopentyl)methyl]-5-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-bromo-1-N-[(1-ethylcyclopentyl)methyl]-5-methylbenzene-1,4-diamine?
The canonical SMILES for 2-bromo-1-N-[(1-ethylcyclopentyl)methyl]-5-methylbenzene-1,4-diamine is CCC1(CNc2cc(C)c(N)cc2Br)CCCC1.
What is the InChIKey of 2-bromo-1-N-[(1-ethylcyclopentyl)methyl]-5-methylbenzene-1,4-diamine?
The InChIKey is ABHQWMDPIPCIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-15(6-4-5-7-15)10-18-14-8-11(2)13(17)9-12(14)16/h8-9,18H,3-7,10,17H2,1-2H3.
What are the key properties of 2-bromo-1-N-[(1-ethylcyclopentyl)methyl]-5-methylbenzene-1,4-diamine?
2-bromo-1-N-[(1-ethylcyclopentyl)methyl]-5-methylbenzene-1,4-diamine has a molecular weight of 311.27 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-N-[(1-ethylcyclopentyl)methyl]-5-methylbenzene-1,4-diamine is sourced from PubChem (CID 114124625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).