(1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine

C14H19N3 — CID 81363525

IUPAC(1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@@H](C)NCc2nccn2C)c1
InChIInChI=1S/C14H19N3/c1-11-5-4-6-13(9-11)12(2)16-10-14-15-7-8-17(14)3/h4-9,12,16H,10H2,1-3H3/t12-/m1/s1
InChIKeyFCXHOLMEMMGJDW-GFCCVEGCSA-N
MW229.33 g/mol
LogP2.58
Rot. Bonds4

About (1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine

(1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 81363525) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID81363525
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@@H](C)NCc2nccn2C)c1
InChIInChI=1S/C14H19N3/c1-11-5-4-6-13(9-11)12(2)16-10-14-15-7-8-17(14)3/h4-9,12,16H,10H2,1-3H3/t12-/m1/s1
InChIKeyFCXHOLMEMMGJDW-GFCCVEGCSA-N
XLogP2.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 56828209
N-[(1-methylimidazol-2-yl)methyl]-1-(3-propan-2-yloxyphenyl)ethanamine
CID 62357438
1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 62350126
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
[3-(1-methylimidazol-2-yl)-1-(3-methylphenyl)propyl]hydrazine
CID 105200793
N-[(1-methylimidazol-2-yl)methyl]-1-(4-methylsulfonylphenyl)ethanamine
CID 63001655
1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61214144
N-ethyl-1-[3-[(1-methylimidazol-2-yl)methylsulfanyl]phenyl]ethanamine
CID 64664020
1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 55152900
(1R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 83089241
(1R)-1-(3-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 81363130
N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 97229657

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine (CID 81363525) is (1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine is Cc1cccc([C@@H](C)NCc2nccn2C)c1.
What is the InChIKey of (1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is FCXHOLMEMMGJDW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-5-4-6-13(9-11)12(2)16-10-14-15-7-8-17(14)3/h4-9,12,16H,10H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine?
(1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81363525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).