[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropyl]methanamine

C14H17N3 — CID 82391333

IUPAC[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropyl]methanamine
SMILESCc1nccn1-c1ccc(C2(CN)CC2)cc1
InChIInChI=1S/C14H17N3/c1-11-16-8-9-17(11)13-4-2-12(3-5-13)14(10-15)6-7-14/h2-5,8-9H,6-7,10,15H2,1H3
InChIKeySXXITZQSJWLJHC-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.17
Rot. Bonds3

About [1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropyl]methanamine

[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropyl]methanamine (PubChem CID 82391333) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is [1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropyl]methanamine
PubChem CID82391333
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropyl]methanamine
SMILESCc1nccn1-c1ccc(C2(CN)CC2)cc1
InChIInChI=1S/C14H17N3/c1-11-16-8-9-17(11)13-4-2-12(3-5-13)14(10-15)6-7-14/h2-5,8-9H,6-7,10,15H2,1H3
InChIKeySXXITZQSJWLJHC-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 63817285
O-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine
CID 117291724
1-(4-ethenylphenyl)-2-methylimidazole
CID 167585504
1-[4-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxamide
CID 67576645
4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 168660067
[2-chloro-4-(2-methylimidazol-1-yl)phenyl]methanamine
CID 62945208
1-[4-(2-methylimidazol-1-yl)phenyl]piperazine
CID 82513449
1-(4-butoxyphenyl)-2-methylimidazole
CID 11148936
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828
[1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine
CID 117400102
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethanol
CID 78941239
[6-(2-methylimidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methanamine
CID 84817951

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropyl]methanamine (CID 82391333) is [1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropyl]methanamine is Cc1nccn1-c1ccc(C2(CN)CC2)cc1.
What is the InChIKey of [1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropyl]methanamine?
The InChIKey is SXXITZQSJWLJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-16-8-9-17(11)13-4-2-12(3-5-13)14(10-15)6-7-14/h2-5,8-9H,6-7,10,15H2,1H3.
What are the key properties of [1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropyl]methanamine?
[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropyl]methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 82391333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).