[3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine

C16H21N3 — CID 114707422

IUPAC[3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine
SMILESCCC1(n2cncc2C(N)c2ccccc2)CCC1
InChIInChI=1S/C16H21N3/c1-2-16(9-6-10-16)19-12-18-11-14(19)15(17)13-7-4-3-5-8-13/h3-5,7-8,11-12,15H,2,6,9-10,17H2,1H3
InChIKeyRNTHOVPBECXQMQ-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.22
Rot. Bonds4

About [3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine

[3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine (PubChem CID 114707422) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is [3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine.

Molecular Properties

Compound Name[3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine
PubChem CID114707422
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name[3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine
SMILESCCC1(n2cncc2C(N)c2ccccc2)CCC1
InChIInChI=1S/C16H21N3/c1-2-16(9-6-10-16)19-12-18-11-14(19)15(17)13-7-4-3-5-8-13/h3-5,7-8,11-12,15H,2,6,9-10,17H2,1H3
InChIKeyRNTHOVPBECXQMQ-UHFFFAOYSA-N
XLogP3.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 114706842
[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 106040980
N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 114705602
2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine
CID 114704930
[3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine
CID 114706106
ethyl 4-[5-[amino(phenyl)methyl]imidazol-1-yl]butanoate
CID 114706337
[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 114704846
3-methyl-1-[3-(1-methylcyclobutyl)imidazol-4-yl]butan-1-amine
CID 114707394
2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 114707087
[3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine
CID 114706152
[3-(2-methoxycyclopentyl)imidazol-4-yl]-phenylmethanamine
CID 114705586
[3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine
CID 114703207

Frequently Asked Questions

What is the IUPAC name of [3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine?
The IUPAC name of [3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine (CID 114707422) is [3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine.
What is the SMILES notation for [3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine?
The canonical SMILES for [3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine is CCC1(n2cncc2C(N)c2ccccc2)CCC1.
What is the InChIKey of [3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine?
The InChIKey is RNTHOVPBECXQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-16(9-6-10-16)19-12-18-11-14(19)15(17)13-7-4-3-5-8-13/h3-5,7-8,11-12,15H,2,6,9-10,17H2,1H3.
What are the key properties of [3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine?
[3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine has a molecular weight of 255.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine is sourced from PubChem (CID 114707422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).