(1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine

C16H23N3 — CID 81363404

IUPAC(1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
SMILESCc1cccc([C@@H](C)NCc2cncn2C(C)C)c1
InChIInChI=1S/C16H23N3/c1-12(2)19-11-17-9-16(19)10-18-14(4)15-7-5-6-13(3)8-15/h5-9,11-12,14,18H,10H2,1-4H3/t14-/m1/s1
InChIKeyYHXUUBTWDLWXAQ-CQSZACIVSA-N
MW257.38 g/mol
LogP3.62
Rot. Bonds5

About (1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine

(1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine (PubChem CID 81363404) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
PubChem CID81363404
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
SMILESCc1cccc([C@@H](C)NCc2cncn2C(C)C)c1
InChIInChI=1S/C16H23N3/c1-12(2)19-11-17-9-16(19)10-18-14(4)15-7-5-6-13(3)8-15/h5-9,11-12,14,18H,10H2,1-4H3/t14-/m1/s1
InChIKeyYHXUUBTWDLWXAQ-CQSZACIVSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol
CID 66162781
(1R)-1-(3-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 81363130
(1S)-1-(3-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 81364798
2,4-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66130271
(1R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 83089241
(1R)-N-[(5-bromo-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364243
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 66133152
4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66129675
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
2-chloro-5-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 107631241
(1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376063
(1R)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81369190

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine (CID 81363404) is (1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine is Cc1cccc([C@@H](C)NCc2cncn2C(C)C)c1.
What is the InChIKey of (1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine?
The InChIKey is YHXUUBTWDLWXAQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)19-11-17-9-16(19)10-18-14(4)15-7-5-6-13(3)8-15/h5-9,11-12,14,18H,10H2,1-4H3/t14-/m1/s1.
What are the key properties of (1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine?
(1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methylphenyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 81363404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).