1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine

C12H14ClN3 — CID 62761205

IUPAC1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
SMILESCC(NCc1cnc[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3/c1-9(10-3-2-4-11(13)5-10)15-7-12-6-14-8-16-12/h2-6,8-9,15H,7H2,1H3,(H,14,16)
InChIKeyACGOZXMHWMNHBG-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.91
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine

1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine (PubChem CID 62761205) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
PubChem CID62761205
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
SMILESCC(NCc1cnc[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3/c1-9(10-3-2-4-11(13)5-10)15-7-12-6-14-8-16-12/h2-6,8-9,15H,7H2,1H3,(H,14,16)
InChIKeyACGOZXMHWMNHBG-UHFFFAOYSA-N
XLogP2.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81366280
3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol
CID 62761945
(1S)-1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81353258
(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
CID 63714042
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 55109973
(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81366485
1-(2,6-dichloro-3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 63001802
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
(1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81366845
(1S)-1-(3-chlorophenyl)-N-(2-ethylsulfanylethyl)ethanamine
CID 104863374
1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine
CID 55109309
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine (CID 62761205) is 1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine is CC(NCc1cnc[nH]1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
The InChIKey is ACGOZXMHWMNHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-9(10-3-2-4-11(13)5-10)15-7-12-6-14-8-16-12/h2-6,8-9,15H,7H2,1H3,(H,14,16).
What are the key properties of 1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 62761205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).