4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine

C12H18BrClN2O — CID 103387782

IUPAC4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C12H18BrClN2O/c1-17-8-10(3-2-6-15)16-12-5-4-9(13)7-11(12)14/h4-5,7,10,16H,2-3,6,8,15H2,1H3
InChIKeyYHODKIUUUINOBR-UHFFFAOYSA-N
MW321.65 g/mol
LogP3.27
Rot. Bonds7

About 4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine

4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine (PubChem CID 103387782) has the molecular formula C12H18BrClN2O and a molecular weight of 321.65 g/mol. Its IUPAC name is 4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine
PubChem CID103387782
Molecular FormulaC12H18BrClN2O
Molecular Weight321.65 g/mol
Exact Mass320.03
IUPAC Name4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C12H18BrClN2O/c1-17-8-10(3-2-6-15)16-12-5-4-9(13)7-11(12)14/h4-5,7,10,16H,2-3,6,8,15H2,1H3
InChIKeyYHODKIUUUINOBR-UHFFFAOYSA-N
XLogP3.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.65
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine with MolForge

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Related Compounds

5-methoxy-4-N-(2,4,5-trichlorophenyl)pentane-1,4-diamine
CID 103387083
4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine
CID 103389616
4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine
CID 103390438
4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine
CID 103387175
4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine
CID 103390195
5-methoxy-4-N-(2-methoxy-4-methylphenyl)pentane-1,4-diamine
CID 103389291
4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine
CID 103387298
methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate
CID 103388068
2-(4-bromo-2-chloroanilino)-3-methoxypropanoic acid
CID 103237265
4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine
CID 103389429
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide
CID 103388830
5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide
CID 103388414

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine (CID 103387782) is 4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine is COCC(CCCN)Nc1ccc(Br)cc1Cl.
What is the InChIKey of 4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine?
The InChIKey is YHODKIUUUINOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2O/c1-17-8-10(3-2-6-15)16-12-5-4-9(13)7-11(12)14/h4-5,7,10,16H,2-3,6,8,15H2,1H3.
What are the key properties of 4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine?
4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine has a molecular weight of 321.65 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103387782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).