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

C13H21ClN2O2 — CID 103389616

IUPAC4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1cc(OC)ccc1Cl
InChIInChI=1S/C13H21ClN2O2/c1-17-9-10(4-3-7-15)16-13-8-11(18-2)5-6-12(13)14/h5-6,8,10,16H,3-4,7,9,15H2,1-2H3
InChIKeyLOWSGYFTUVKHEX-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.51
Rot. Bonds8

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

4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine (PubChem CID 103389616) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine
PubChem CID103389616
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1cc(OC)ccc1Cl
InChIInChI=1S/C13H21ClN2O2/c1-17-9-10(4-3-7-15)16-13-8-11(18-2)5-6-12(13)14/h5-6,8,10,16H,3-4,7,9,15H2,1-2H3
InChIKeyLOWSGYFTUVKHEX-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

5-methoxy-4-N-(2,4,5-trichlorophenyl)pentane-1,4-diamine
CID 103387083
4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine
CID 103387175
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide
CID 103388830
4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine
CID 103387782
5-methoxy-4-N-(2-methoxy-4-methylphenyl)pentane-1,4-diamine
CID 103389291
5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide
CID 103388414
methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate
CID 103388068
4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine
CID 103387298
5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 103387010
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide
CID 103388775
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
5-methoxy-4-N-[1-(4-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 103390275

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine (CID 103389616) is 4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine is COCC(CCCN)Nc1cc(OC)ccc1Cl.
What is the InChIKey of 4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine?
The InChIKey is LOWSGYFTUVKHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-17-9-10(4-3-7-15)16-13-8-11(18-2)5-6-12(13)14/h5-6,8,10,16H,3-4,7,9,15H2,1-2H3.
What are the key properties of 4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine?
4-N-(2-chloro-5-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-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103389616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).