N-methyl-1-[3-[(1-propylimidazol-2-yl)methyl]phenyl]propan-1-amine

C17H25N3 — CID 79738919

IUPACN-methyl-1-[3-[(1-propylimidazol-2-yl)methyl]phenyl]propan-1-amine
SMILESCCCn1ccnc1Cc1cccc(C(CC)NC)c1
InChIInChI=1S/C17H25N3/c1-4-10-20-11-9-19-17(20)13-14-7-6-8-15(12-14)16(5-2)18-3/h6-9,11-12,16,18H,4-5,10,13H2,1-3H3
InChIKeyWXCLWIZSDYQNSL-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.55
Rot. Bonds7

About N-methyl-1-[3-[(1-propylimidazol-2-yl)methyl]phenyl]propan-1-amine

N-methyl-1-[3-[(1-propylimidazol-2-yl)methyl]phenyl]propan-1-amine (PubChem CID 79738919) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-methyl-1-[3-[(1-propylimidazol-2-yl)methyl]phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[3-[(1-propylimidazol-2-yl)methyl]phenyl]propan-1-amine
PubChem CID79738919
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-methyl-1-[3-[(1-propylimidazol-2-yl)methyl]phenyl]propan-1-amine
SMILESCCCn1ccnc1Cc1cccc(C(CC)NC)c1
InChIInChI=1S/C17H25N3/c1-4-10-20-11-9-19-17(20)13-14-7-6-8-15(12-14)16(5-2)18-3/h6-9,11-12,16,18H,4-5,10,13H2,1-3H3
InChIKeyWXCLWIZSDYQNSL-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751378
N-methyl-1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752583
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012440
1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738227
N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine
CID 81023984
N,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline
CID 105167752
1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106848789
N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79751946
N-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine
CID 62919527
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 55152900
1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012439

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(1-propylimidazol-2-yl)methyl]phenyl]propan-1-amine?
The IUPAC name of N-methyl-1-[3-[(1-propylimidazol-2-yl)methyl]phenyl]propan-1-amine (CID 79738919) is N-methyl-1-[3-[(1-propylimidazol-2-yl)methyl]phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[3-[(1-propylimidazol-2-yl)methyl]phenyl]propan-1-amine?
The canonical SMILES for N-methyl-1-[3-[(1-propylimidazol-2-yl)methyl]phenyl]propan-1-amine is CCCn1ccnc1Cc1cccc(C(CC)NC)c1.
What is the InChIKey of N-methyl-1-[3-[(1-propylimidazol-2-yl)methyl]phenyl]propan-1-amine?
The InChIKey is WXCLWIZSDYQNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-10-20-11-9-19-17(20)13-14-7-6-8-15(12-14)16(5-2)18-3/h6-9,11-12,16,18H,4-5,10,13H2,1-3H3.
What are the key properties of N-methyl-1-[3-[(1-propylimidazol-2-yl)methyl]phenyl]propan-1-amine?
N-methyl-1-[3-[(1-propylimidazol-2-yl)methyl]phenyl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(1-propylimidazol-2-yl)methyl]phenyl]propan-1-amine is sourced from PubChem (CID 79738919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).