N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine

C18H27N3 — CID 61317745

IUPACN-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(C)c1)c1nccn1CCC
InChIInChI=1S/C18H27N3/c1-5-9-19-17(16-8-7-14(3)15(4)13-16)18-20-10-12-21(18)11-6-2/h7-8,10,12-13,17,19H,5-6,9,11H2,1-4H3
InChIKeyBQUNAGWEBPOSFA-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.00
Rot. Bonds7

About N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine

N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 61317745) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
PubChem CID61317745
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(C)c1)c1nccn1CCC
InChIInChI=1S/C18H27N3/c1-5-9-19-17(16-8-7-14(3)15(4)13-16)18-20-10-12-21(18)11-6-2/h7-8,10,12-13,17,19H,5-6,9,11H2,1-4H3
InChIKeyBQUNAGWEBPOSFA-UHFFFAOYSA-N
XLogP4.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61318759
N-[(4-chloro-3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 107992682
N-[(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 103215312
N-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 81289391
N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 61318763
N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61319386
N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61317740
N-[(3-methoxy-4-pyridinyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 105064357
N-[(1-ethylimidazol-2-yl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 61314827
N-[(4-iodophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316520
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61318558

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine (CID 61317745) is N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(C)c1)c1nccn1CCC.
What is the InChIKey of N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is BQUNAGWEBPOSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-9-19-17(16-8-7-14(3)15(4)13-16)18-20-10-12-21(18)11-6-2/h7-8,10,12-13,17,19H,5-6,9,11H2,1-4H3.
What are the key properties of N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 61317745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).