5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine

C15H26N2O2 — CID 103390524

IUPAC5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine
SMILESCOCC(CCCN)N[C@@H](C)c1ccccc1OC
InChIInChI=1S/C15H26N2O2/c1-12(14-8-4-5-9-15(14)19-3)17-13(11-18-2)7-6-10-16/h4-5,8-9,12-13,17H,6-7,10-11,16H2,1-3H3/t12-,13?/m0/s1
InChIKeyFXTLFPJRJKSKNH-UEWDXFNNSA-N
MW266.38 g/mol
LogP2.10
Rot. Bonds9

About 5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine

5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine (PubChem CID 103390524) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine
PubChem CID103390524
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine
SMILESCOCC(CCCN)N[C@@H](C)c1ccccc1OC
InChIInChI=1S/C15H26N2O2/c1-12(14-8-4-5-9-15(14)19-3)17-13(11-18-2)7-6-10-16/h4-5,8-9,12-13,17H,6-7,10-11,16H2,1-3H3/t12-,13?/m0/s1
InChIKeyFXTLFPJRJKSKNH-UEWDXFNNSA-N
XLogP2.10
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine
CID 103389173
3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785533
5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine
CID 103388167
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81396911
N-[1-(2-methoxyphenyl)ethyl]octan-2-amine
CID 43129932
5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine
CID 103389871
(1S)-1-(2-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171219977
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine
CID 113493164
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743
N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 113350914

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine (CID 103390524) is 5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine is COCC(CCCN)N[C@@H](C)c1ccccc1OC.
What is the InChIKey of 5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine?
The InChIKey is FXTLFPJRJKSKNH-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(14-8-4-5-9-15(14)19-3)17-13(11-18-2)7-6-10-16/h4-5,8-9,12-13,17H,6-7,10-11,16H2,1-3H3/t12-,13?/m0/s1.
What are the key properties of 5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine?
5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine is sourced from PubChem (CID 103390524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).