(1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine

C14H19N3O — CID 95359172

IUPAC(1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
SMILESCOc1ccc(CN[C@H](C)c2nccn2C)cc1
InChIInChI=1S/C14H19N3O/c1-11(14-15-8-9-17(14)2)16-10-12-4-6-13(18-3)7-5-12/h4-9,11,16H,10H2,1-3H3/t11-/m1/s1
InChIKeyCZTLCGSTSPCWKW-LLVKDONJSA-N
MW245.33 g/mol
LogP2.28
Rot. Bonds5

About (1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine

(1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine (PubChem CID 95359172) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
PubChem CID95359172
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
SMILESCOc1ccc(CN[C@H](C)c2nccn2C)cc1
InChIInChI=1S/C14H19N3O/c1-11(14-15-8-9-17(14)2)16-10-12-4-6-13(18-3)7-5-12/h4-9,11,16H,10H2,1-3H3/t11-/m1/s1
InChIKeyCZTLCGSTSPCWKW-LLVKDONJSA-N
XLogP2.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 63974743
N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974744
N-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 43230914
4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 63002181
1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 66243851
N-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 115900750
N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 103913887
N-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702990
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43433228
1-(3,5-dimethoxyphenyl)-N-[[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methyl]-1-(1-methylimidazol-2-yl)methanamine
CID 166187575
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of (1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine (CID 95359172) is (1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for (1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for (1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine is COc1ccc(CN[C@H](C)c2nccn2C)cc1.
What is the InChIKey of (1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is CZTLCGSTSPCWKW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(14-15-8-9-17(14)2)16-10-12-4-6-13(18-3)7-5-12/h4-9,11,16H,10H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine?
(1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 95359172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).