N'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine

C16H24N4O — CID 114527323

IUPACN'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine
SMILESCOc1cccc(N(CCCN)CCc2nccn2C)c1
InChIInChI=1S/C16H24N4O/c1-19-12-9-18-16(19)7-11-20(10-4-8-17)14-5-3-6-15(13-14)21-2/h3,5-6,9,12-13H,4,7-8,10-11,17H2,1-2H3
InChIKeyAPNDPNFSUUILFE-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.83
Rot. Bonds8

About N'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine

N'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine (PubChem CID 114527323) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine
PubChem CID114527323
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine
SMILESCOc1cccc(N(CCCN)CCc2nccn2C)c1
InChIInChI=1S/C16H24N4O/c1-19-12-9-18-16(19)7-11-20(10-4-8-17)14-5-3-6-15(13-14)21-2/h3,5-6,9,12-13H,4,7-8,10-11,17H2,1-2H3
InChIKeyAPNDPNFSUUILFE-UHFFFAOYSA-N
XLogP1.83
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(3-methoxyphenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552499
N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190455
N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine
CID 43319003
4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527344
N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 104606037
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041
1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61214144
N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
CID 61251850
2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone
CID 43136387
N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136389
N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 28770483
N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 28770717

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine (CID 114527323) is N'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine is COc1cccc(N(CCCN)CCc2nccn2C)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine?
The InChIKey is APNDPNFSUUILFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-19-12-9-18-16(19)7-11-20(10-4-8-17)14-5-3-6-15(13-14)21-2/h3,5-6,9,12-13H,4,7-8,10-11,17H2,1-2H3.
What are the key properties of N'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine?
N'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine has a molecular weight of 288.40 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 114527323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).