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

C17H24ClN3 — CID 82772155

IUPACN-[1-[2-chloro-4-[(1-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Cc2nccn2CC)cc1Cl
InChIInChI=1S/C17H24ClN3/c1-4-8-19-13(3)15-7-6-14(11-16(15)18)12-17-20-9-10-21(17)5-2/h6-7,9-11,13,19H,4-5,8,12H2,1-3H3
InChIKeyCXOKVJLNVUFFIS-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.21
Rot. Bonds7

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

N-[1-[2-chloro-4-[(1-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine (PubChem CID 82772155) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[1-[2-chloro-4-[(1-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-chloro-4-[(1-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine
PubChem CID82772155
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN-[1-[2-chloro-4-[(1-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Cc2nccn2CC)cc1Cl
InChIInChI=1S/C17H24ClN3/c1-4-8-19-13(3)15-7-6-14(11-16(15)18)12-17-20-9-10-21(17)5-2/h6-7,9-11,13,19H,4-5,8,12H2,1-3H3
InChIKeyCXOKVJLNVUFFIS-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine
CID 82783396
N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 82772140
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine
CID 79738337
[2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine
CID 114076779
1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]ethanamine
CID 82783395
1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738325
(1S)-1-(3,4-dichlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 94410101
N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099161
N-[1-(3-bromo-4-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 115567715
N-[1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009542
N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61319386

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-chloro-4-[(1-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-chloro-4-[(1-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine (CID 82772155) is N-[1-[2-chloro-4-[(1-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-chloro-4-[(1-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-chloro-4-[(1-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(Cc2nccn2CC)cc1Cl.
What is the InChIKey of N-[1-[2-chloro-4-[(1-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine?
The InChIKey is CXOKVJLNVUFFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-8-19-13(3)15-7-6-14(11-16(15)18)12-17-20-9-10-21(17)5-2/h6-7,9-11,13,19H,4-5,8,12H2,1-3H3.
What are the key properties of N-[1-[2-chloro-4-[(1-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine?
N-[1-[2-chloro-4-[(1-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine has a molecular weight of 305.85 g/mol, XLogP of 4.21, 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-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 82772155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).