(1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine

C19H20BrN3O — CID 92854374

IUPAC(1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
SMILESCOc1ccc(Br)cc1CN[C@H](c1ccccc1)c1nccn1C
InChIInChI=1S/C19H20BrN3O/c1-23-11-10-21-19(23)18(14-6-4-3-5-7-14)22-13-15-12-16(20)8-9-17(15)24-2/h3-12,18,22H,13H2,1-2H3/t18-/m1/s1
InChIKeyKXGLNGMYVUDAJU-GOSISDBHSA-N
MW386.29 g/mol
LogP4.07
Rot. Bonds6

About (1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine

(1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine (PubChem CID 92854374) has the molecular formula C19H20BrN3O and a molecular weight of 386.29 g/mol. Its IUPAC name is (1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
PubChem CID92854374
Molecular FormulaC19H20BrN3O
Molecular Weight386.29 g/mol
Exact Mass385.08
IUPAC Name(1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
SMILESCOc1ccc(Br)cc1CN[C@H](c1ccccc1)c1nccn1C
InChIInChI=1S/C19H20BrN3O/c1-23-11-10-21-19(23)18(14-6-4-3-5-7-14)22-13-15-12-16(20)8-9-17(15)24-2/h3-12,18,22H,13H2,1-2H3/t18-/m1/s1
InChIKeyKXGLNGMYVUDAJU-GOSISDBHSA-N
XLogP4.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 99777207
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25325158
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 95188898
1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
CID 38202343
(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 94189098
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 113296174
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
(1S)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 78950918
N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 86854923
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
(2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide
CID 95806845
N-[(2,4-difluorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 47030534

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
The IUPAC name of (1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine (CID 92854374) is (1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine.
What is the SMILES notation for (1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
The canonical SMILES for (1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine is COc1ccc(Br)cc1CN[C@H](c1ccccc1)c1nccn1C.
What is the InChIKey of (1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
The InChIKey is KXGLNGMYVUDAJU-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20BrN3O/c1-23-11-10-21-19(23)18(14-6-4-3-5-7-14)22-13-15-12-16(20)8-9-17(15)24-2/h3-12,18,22H,13H2,1-2H3/t18-/m1/s1.
What are the key properties of (1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
(1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine has a molecular weight of 386.29 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine is sourced from PubChem (CID 92854374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).