4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine

C14H23BrN2O2 — CID 103389429

IUPAC4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine
SMILESCOCc1c(Br)cccc1NC(CCCN)COC
InChIInChI=1S/C14H23BrN2O2/c1-18-9-11(5-4-8-16)17-14-7-3-6-13(15)12(14)10-19-2/h3,6-7,11,17H,4-5,8-10,16H2,1-2H3
InChIKeyKYQNDHVNXGXIRQ-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.76
Rot. Bonds9

About 4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine

4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine (PubChem CID 103389429) has the molecular formula C14H23BrN2O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine
PubChem CID103389429
Molecular FormulaC14H23BrN2O2
Molecular Weight331.25 g/mol
Exact Mass330.09
IUPAC Name4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine
SMILESCOCc1c(Br)cccc1NC(CCCN)COC
InChIInChI=1S/C14H23BrN2O2/c1-18-9-11(5-4-8-16)17-14-7-3-6-13(15)12(14)10-19-2/h3,6-7,11,17H,4-5,8-10,16H2,1-2H3
InChIKeyKYQNDHVNXGXIRQ-UHFFFAOYSA-N
XLogP2.76
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-heptan-3-yl-2-(methoxymethyl)aniline
CID 63946322
5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 103387010
5-methoxy-4-N-(2-methyl-3-nitrophenyl)pentane-1,4-diamine
CID 103388500
4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine
CID 103387782
methyl 2-[3-bromo-2-(methoxymethyl)anilino]butanoate
CID 113292588
3-bromo-2-(methoxymethyl)-N-(3-methoxypropyl)aniline
CID 61166782
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide
CID 81089050
5-methoxy-4-N-(2,4,5-trichlorophenyl)pentane-1,4-diamine
CID 103387083
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine
CID 103390195
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-(methoxymethyl)aniline
CID 63452354
4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine
CID 103387175

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine (CID 103389429) is 4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine is COCc1c(Br)cccc1NC(CCCN)COC.
What is the InChIKey of 4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine?
The InChIKey is KYQNDHVNXGXIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2/c1-18-9-11(5-4-8-16)17-14-7-3-6-13(15)12(14)10-19-2/h3,6-7,11,17H,4-5,8-10,16H2,1-2H3.
What are the key properties of 4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine?
4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine has a molecular weight of 331.25 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103389429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).