N'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine

C14H24N2O2 — CID 15045276

IUPACN'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
SMILESCOc1cc(CCN(C)CCCN)cc(OC)c1
InChIInChI=1S/C14H24N2O2/c1-16(7-4-6-15)8-5-12-9-13(17-2)11-14(10-12)18-3/h9-11H,4-8,15H2,1-3H3
InChIKeyPKZJHHRXLNLBML-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.53
Rot. Bonds8

About N'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine

N'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine (PubChem CID 15045276) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
PubChem CID15045276
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
SMILESCOc1cc(CCN(C)CCCN)cc(OC)c1
InChIInChI=1S/C14H24N2O2/c1-16(7-4-6-15)8-5-12-9-13(17-2)11-14(10-12)18-3/h9-11H,4-8,15H2,1-3H3
InChIKeyPKZJHHRXLNLBML-UHFFFAOYSA-N
XLogP1.53
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propan-1-amine
CID 96606230
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115197450
N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-[(5-phenyl-1,2,4-thiadiazol-3-yl)oxy]propan-1-amine;hydrochloride
CID 22902356
N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 94258994
N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201544
N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide
CID 120648289
1-butyl-3,5-dimethoxybenzene
CID 524875
(2R)-5-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]-2-(3,5-dimethoxy-2-propan-2-ylphenyl)pentanal
CID 54211812
5-[2-(3,5-diethoxyphenyl)ethyl-methylamino]-2-(3,5-dimethoxyphenyl)-2-propan-2-ylpentanenitrile;hydrochloride
CID 22158460
4-[2-(3-methoxyphenyl)ethyl-methylamino]butanoic acid
CID 115218804
N'-[2-(4-fluorophenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 94259582

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine (CID 15045276) is N'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine is COc1cc(CCN(C)CCCN)cc(OC)c1.
What is the InChIKey of N'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine?
The InChIKey is PKZJHHRXLNLBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16(7-4-6-15)8-5-12-9-13(17-2)11-14(10-12)18-3/h9-11H,4-8,15H2,1-3H3.
What are the key properties of N'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine?
N'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 15045276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).