1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine

C16H23N3 — CID 66130561

IUPAC1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
SMILESCCCn1cncc1CNC(C)c1ccc(C)cc1
InChIInChI=1S/C16H23N3/c1-4-9-19-12-17-10-16(19)11-18-14(3)15-7-5-13(2)6-8-15/h5-8,10,12,14,18H,4,9,11H2,1-3H3
InChIKeyCQNILVXKBXNYKX-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.45
Rot. Bonds6

About 1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine

1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine (PubChem CID 66130561) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
PubChem CID66130561
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
SMILESCCCn1cncc1CNC(C)c1ccc(C)cc1
InChIInChI=1S/C16H23N3/c1-4-9-19-12-17-10-16(19)11-18-14(3)15-7-5-13(2)6-8-15/h5-8,10,12,14,18H,4,9,11H2,1-3H3
InChIKeyCQNILVXKBXNYKX-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81359377
(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405734
N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 66133954
1-(5-methylfuran-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66131133
(1R)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81369190
(1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81365622
(1R)-1-(2-chlorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81377729
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66244272
5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine
CID 66133962
1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130984
(1R)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356977
4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol
CID 106348786

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine (CID 66130561) is 1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine is CCCn1cncc1CNC(C)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The InChIKey is CQNILVXKBXNYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-9-19-12-17-10-16(19)11-18-14(3)15-7-5-13(2)6-8-15/h5-8,10,12,14,18H,4,9,11H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 66130561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).