N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine

C17H24ClN3 — CID 82772140

IUPACN-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2nccn2CCC)cc1Cl
InChIInChI=1S/C17H24ClN3/c1-4-8-19-13(3)15-7-6-14(12-16(15)18)17-20-9-11-21(17)10-5-2/h6-7,9,11-13,19H,4-5,8,10H2,1-3H3
InChIKeyAKHXYOICUFMGSE-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.67
Rot. Bonds7

About N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine

N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine (PubChem CID 82772140) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
PubChem CID82772140
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2nccn2CCC)cc1Cl
InChIInChI=1S/C17H24ClN3/c1-4-8-19-13(3)15-7-6-14(12-16(15)18)17-20-9-11-21(17)10-5-2/h6-7,9,11-13,19H,4-5,8,10H2,1-3H3
InChIKeyAKHXYOICUFMGSE-UHFFFAOYSA-N
XLogP4.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 63975816
N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine
CID 63976027
N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61319386
N-[1-[2-chloro-4-[(1-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine
CID 82772155
N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975815
N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82771991
3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine
CID 82559619
N-[1-[2-chloro-4-(2-methylthiophen-3-yl)phenyl]ethyl]propan-1-amine
CID 102834411
N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61318759
N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine
CID 63975615
N-[1-[2-chloro-4-(2,4-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82772125
2-[2-(3,4-dichlorophenyl)imidazol-1-yl]ethanamine
CID 82559612

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine (CID 82772140) is N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-c2nccn2CCC)cc1Cl.
What is the InChIKey of N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is AKHXYOICUFMGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-8-19-13(3)15-7-6-14(12-16(15)18)17-20-9-11-21(17)10-5-2/h6-7,9,11-13,19H,4-5,8,10H2,1-3H3.
What are the key properties of N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine?
N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 305.85 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 82772140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).