1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine

C15H20ClN3O — CID 61319375

IUPAC1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(NC)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H20ClN3O/c1-4-8-19-9-7-18-15(19)14(17-2)12-10-11(16)5-6-13(12)20-3/h5-7,9-10,14,17H,4,8H2,1-3H3
InChIKeyOHBGPKOOUAFOTB-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.26
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine

1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine (PubChem CID 61319375) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
PubChem CID61319375
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(NC)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H20ClN3O/c1-4-8-19-9-7-18-15(19)14(17-2)12-10-11(16)5-6-13(12)20-3/h5-7,9-10,14,17H,4,8H2,1-3H3
InChIKeyOHBGPKOOUAFOTB-UHFFFAOYSA-N
XLogP3.26
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-4-methylphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 106791871
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61317941
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 62791218
N-[(2,4-dichlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61319386
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 79781127
1-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105047783
1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61317535
[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105193319
1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61318962
(2-bromo-5-chlorophenyl)-(1-propylimidazol-2-yl)methanol
CID 66156091
N-[(3-methoxy-4-pyridinyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 105064357
1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine (CID 61319375) is 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine is CCCn1ccnc1C(NC)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
The InChIKey is OHBGPKOOUAFOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-4-8-19-9-7-18-15(19)14(17-2)12-10-11(16)5-6-13(12)20-3/h5-7,9-10,14,17H,4,8H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine?
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine has a molecular weight of 293.80 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 61319375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).