4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine

C13H21ClN2O2 — CID 103387175

IUPAC4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C13H21ClN2O2/c1-17-9-11(4-3-7-15)16-12-8-10(14)5-6-13(12)18-2/h5-6,8,11,16H,3-4,7,9,15H2,1-2H3
InChIKeyMCZYXCIUJZISKJ-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.51
Rot. Bonds8

About 4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine

4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine (PubChem CID 103387175) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine
PubChem CID103387175
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C13H21ClN2O2/c1-17-9-11(4-3-7-15)16-12-8-10(14)5-6-13(12)18-2/h5-6,8,11,16H,3-4,7,9,15H2,1-2H3
InChIKeyMCZYXCIUJZISKJ-UHFFFAOYSA-N
XLogP2.51
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide
CID 103388775
methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate
CID 103388068
4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine
CID 103389616
5-methoxy-4-N-(2-methoxy-4-methylphenyl)pentane-1,4-diamine
CID 103389291
5-methoxy-4-N-(2,4,5-trichlorophenyl)pentane-1,4-diamine
CID 103387083
5-chloro-N-heptan-4-yl-2-methoxyaniline
CID 28510318
4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine
CID 103387782
5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine
CID 103389254
5-chloro-2-methoxy-N-(5-methylhexan-2-yl)aniline
CID 43100580
5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 103387010
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide
CID 103388830
5-chloro-N-(3-fluoropropyl)-2-methoxyaniline
CID 81106313

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine (CID 103387175) is 4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine is COCC(CCCN)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine?
The InChIKey is MCZYXCIUJZISKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-17-9-11(4-3-7-15)16-12-8-10(14)5-6-13(12)18-2/h5-6,8,11,16H,3-4,7,9,15H2,1-2H3.
What are the key properties of 4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine?
4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine has a molecular weight of 272.78 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103387175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).