1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine

C15H20ClN3 — CID 66135228

IUPAC1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
SMILESCCn1cncc1CNC(C)Cc1ccccc1Cl
InChIInChI=1S/C15H20ClN3/c1-3-19-11-17-9-14(19)10-18-12(2)8-13-6-4-5-7-15(13)16/h4-7,9,11-12,18H,3,8,10H2,1-2H3
InChIKeyLFSYKCSKITYVIW-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.28
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine

1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine (PubChem CID 66135228) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
PubChem CID66135228
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
SMILESCCn1cncc1CNC(C)Cc1ccccc1Cl
InChIInChI=1S/C15H20ClN3/c1-3-19-11-17-9-14(19)10-18-12(2)8-13-6-4-5-7-15(13)16/h4-7,9,11-12,18H,3,8,10H2,1-2H3
InChIKeyLFSYKCSKITYVIW-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine
CID 66118854
2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol
CID 66135627
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130984
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine
CID 62761568
(1R)-1-(2-chlorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81377729
N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
CID 66132973
N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 66133359
1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine
CID 66117372
1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine
CID 43677385
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 60780252

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine (CID 66135228) is 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine is CCn1cncc1CNC(C)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine?
The InChIKey is LFSYKCSKITYVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-19-11-17-9-14(19)10-18-12(2)8-13-6-4-5-7-15(13)16/h4-7,9,11-12,18H,3,8,10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine?
1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine has a molecular weight of 277.80 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 66135228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).