1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine

C12H14ClN3O — CID 63001121

IUPAC1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
SMILESCOc1ccc(Cl)cc1CNCc1ncc[nH]1
InChIInChI=1S/C12H14ClN3O/c1-17-11-3-2-10(13)6-9(11)7-14-8-12-15-4-5-16-12/h2-6,14H,7-8H2,1H3,(H,15,16)
InChIKeyNZEYXRMIGGSTKD-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.36
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine

1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine (PubChem CID 63001121) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
PubChem CID63001121
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
SMILESCOc1ccc(Cl)cc1CNCc1ncc[nH]1
InChIInChI=1S/C12H14ClN3O/c1-17-11-3-2-10(13)6-9(11)7-14-8-12-15-4-5-16-12/h2-6,14H,7-8H2,1H3,(H,15,16)
InChIKeyNZEYXRMIGGSTKD-UHFFFAOYSA-N
XLogP2.36
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 63820703
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17331835
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
CID 82682280
1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 112748930
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816
N-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine
CID 63001644
2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde
CID 115222884
3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-N,N-dimethylpyridin-4-amine
CID 75522346
N-(1H-imidazol-2-ylmethyl)-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 119111095

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine (CID 63001121) is 1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine is COc1ccc(Cl)cc1CNCc1ncc[nH]1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine?
The InChIKey is NZEYXRMIGGSTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-17-11-3-2-10(13)6-9(11)7-14-8-12-15-4-5-16-12/h2-6,14H,7-8H2,1H3,(H,15,16).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine?
1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine has a molecular weight of 251.72 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine is sourced from PubChem (CID 63001121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).