[3-(1-propylimidazol-2-yl)phenyl]methanamine

C13H17N3 — CID 63974354

IUPAC[3-(1-propylimidazol-2-yl)phenyl]methanamine
SMILESCCCn1ccnc1-c1cccc(CN)c1
InChIInChI=1S/C13H17N3/c1-2-7-16-8-6-15-13(16)12-5-3-4-11(9-12)10-14/h3-6,8-9H,2,7,10,14H2,1H3
InChIKeyUFNKNAFVDKSCJF-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.42
Rot. Bonds4

About [3-(1-propylimidazol-2-yl)phenyl]methanamine

[3-(1-propylimidazol-2-yl)phenyl]methanamine (PubChem CID 63974354) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [3-(1-propylimidazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1-propylimidazol-2-yl)phenyl]methanamine
PubChem CID63974354
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[3-(1-propylimidazol-2-yl)phenyl]methanamine
SMILESCCCn1ccnc1-c1cccc(CN)c1
InChIInChI=1S/C13H17N3/c1-2-7-16-8-6-15-13(16)12-5-3-4-11(9-12)10-14/h3-6,8-9H,2,7,10,14H2,1H3
InChIKeyUFNKNAFVDKSCJF-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine
CID 61069749
3-(1-butylimidazol-2-yl)aniline
CID 60813678
[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 82558960
[3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559570
2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide
CID 119896318
2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride
CID 119896317
N-[3-(1-propylimidazol-2-yl)phenyl]-3-pyridin-2-ylpropanamide
CID 75427147
N-[[3-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63975192
N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975815
[4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559625
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride
CID 119896331

Frequently Asked Questions

What is the IUPAC name of [3-(1-propylimidazol-2-yl)phenyl]methanamine?
The IUPAC name of [3-(1-propylimidazol-2-yl)phenyl]methanamine (CID 63974354) is [3-(1-propylimidazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-(1-propylimidazol-2-yl)phenyl]methanamine?
The canonical SMILES for [3-(1-propylimidazol-2-yl)phenyl]methanamine is CCCn1ccnc1-c1cccc(CN)c1.
What is the InChIKey of [3-(1-propylimidazol-2-yl)phenyl]methanamine?
The InChIKey is UFNKNAFVDKSCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-7-16-8-6-15-13(16)12-5-3-4-11(9-12)10-14/h3-6,8-9H,2,7,10,14H2,1H3.
What are the key properties of [3-(1-propylimidazol-2-yl)phenyl]methanamine?
[3-(1-propylimidazol-2-yl)phenyl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-propylimidazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 63974354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).