(1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine

C15H21N3 — CID 116544947

IUPAC(1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)c2nccn2C)c1
InChIInChI=1S/C15H21N3/c1-11(2)9-12-5-4-6-13(10-12)14(16)15-17-7-8-18(15)3/h4-8,10-11,14H,9,16H2,1-3H3
InChIKeySHSMJIPLXAUUAV-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.67
Rot. Bonds4

About (1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine

(1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 116544947) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID116544947
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)c2nccn2C)c1
InChIInChI=1S/C15H21N3/c1-11(2)9-12-5-4-6-13(10-12)14(16)15-17-7-8-18(15)3/h4-8,10-11,14H,9,16H2,1-3H3
InChIKeySHSMJIPLXAUUAV-UHFFFAOYSA-N
XLogP2.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methylpropyl)phenyl]-(2-methylpyrazol-3-yl)methanamine
CID 105188165
[3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105188108
1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol
CID 63976645
(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 63195529
(R)-(4-bromophenyl)-(1-methylimidazol-2-yl)methanamine
CID 42220181
(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543886
2-(3-bromophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63975789
(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride
CID 52983573
2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63976213
(3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544792
(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 114330154
(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543817

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine (CID 116544947) is (1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine is CC(C)Cc1cccc(C(N)c2nccn2C)c1.
What is the InChIKey of (1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is SHSMJIPLXAUUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)9-12-5-4-6-13(10-12)14(16)15-17-7-8-18(15)3/h4-8,10-11,14H,9,16H2,1-3H3.
What are the key properties of (1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine?
(1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 116544947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).