1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine

C16H23N3O2 — CID 65230792

IUPAC1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1cnc[nH]1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-4-14(18-8-7-13-10-17-11-19-13)12-5-6-15(20-2)16(9-12)21-3/h5-6,9-11,14,18H,4,7-8H2,1-3H3,(H,17,19)
InChIKeyAGQUVPZXZTWSCB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.71
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine

1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine (PubChem CID 65230792) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine
PubChem CID65230792
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1cnc[nH]1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-4-14(18-8-7-13-10-17-11-19-13)12-5-6-15(20-2)16(9-12)21-3/h5-6,9-11,14,18H,4,7-8H2,1-3H3,(H,17,19)
InChIKeyAGQUVPZXZTWSCB-UHFFFAOYSA-N
XLogP2.71
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 55109973
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine
CID 43539839
N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62634495
4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol
CID 64912152
3-[1-(3,4-dimethoxyphenyl)propylamino]propanenitrile
CID 43207726
1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43204862
N-[1-(3,4-dimethoxyphenyl)propyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636259
(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 948867
1-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 103778096
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 64546221

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine (CID 65230792) is 1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine is CCC(NCCc1cnc[nH]1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine?
The InChIKey is AGQUVPZXZTWSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-14(18-8-7-13-10-17-11-19-13)12-5-6-15(20-2)16(9-12)21-3/h5-6,9-11,14,18H,4,7-8H2,1-3H3,(H,17,19).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine?
1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65230792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).