[3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine

C16H21N3O — CID 114706842

IUPAC[3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine
SMILESCC1(Cn2cncc2C(N)c2ccccc2)CCCO1
InChIInChI=1S/C16H21N3O/c1-16(8-5-9-20-16)11-19-12-18-10-14(19)15(17)13-6-3-2-4-7-13/h2-4,6-7,10,12,15H,5,8-9,11,17H2,1H3
InChIKeyGRHMPIPSKVOBKC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.50
Rot. Bonds4

About [3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine

[3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine (PubChem CID 114706842) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine.

Molecular Properties

Compound Name[3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine
PubChem CID114706842
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine
SMILESCC1(Cn2cncc2C(N)c2ccccc2)CCCO1
InChIInChI=1S/C16H21N3O/c1-16(8-5-9-20-16)11-19-12-18-10-14(19)15(17)13-6-3-2-4-7-13/h2-4,6-7,10,12,15H,5,8-9,11,17H2,1H3
InChIKeyGRHMPIPSKVOBKC-UHFFFAOYSA-N
XLogP2.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine
CID 114707422
N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 114705602
[3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine
CID 114706152
2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 114707087
[3-(2-methylsulfinylpropyl)imidazol-4-yl]-phenylmethanamine
CID 114707566
[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 106040980
N-benzyl-9-[(2-methyloxolan-2-yl)methyl]purin-6-amine
CID 170693033
[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 114704846
ethyl 4-[5-[amino(phenyl)methyl]imidazol-1-yl]butanoate
CID 114706337
1-[[5-[(1S)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
CID 104943564
1-[[5-[(1R)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
CID 104943565
(1R)-1-[3-[(4-methyloxan-4-yl)methyl]imidazol-4-yl]propan-1-amine
CID 114125645

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine?
The IUPAC name of [3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine (CID 114706842) is [3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine.
What is the SMILES notation for [3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine?
The canonical SMILES for [3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine is CC1(Cn2cncc2C(N)c2ccccc2)CCCO1.
What is the InChIKey of [3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine?
The InChIKey is GRHMPIPSKVOBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(8-5-9-20-16)11-19-12-18-10-14(19)15(17)13-6-3-2-4-7-13/h2-4,6-7,10,12,15H,5,8-9,11,17H2,1H3.
What are the key properties of [3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine?
[3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine is sourced from PubChem (CID 114706842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).