N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine

C15H19N3O — CID 104587926

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCc2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C15H19N3O/c1-19-15-8-13(9-15)17-10-12-2-4-14(5-3-12)18-7-6-16-11-18/h2-7,11,13,15,17H,8-10H2,1H3
InChIKeyXHQLTWBTNLMQEV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.14
Rot. Bonds5

About N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine

N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine (PubChem CID 104587926) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine
PubChem CID104587926
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCc2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C15H19N3O/c1-19-15-8-13(9-15)17-10-12-2-4-14(5-3-12)18-7-6-16-11-18/h2-7,11,13,15,17H,8-10H2,1H3
InChIKeyXHQLTWBTNLMQEV-UHFFFAOYSA-N
XLogP2.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine
CID 62318506
N-[(4-imidazol-1-ylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 43222635
N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 51086166
(6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95311283
3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 113429867
N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594086
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295
N-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine
CID 104587739
N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115615497
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
(3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95338340
N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
CID 78911236

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine (CID 104587926) is N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine is COC1CC(NCc2ccc(-n3ccnc3)cc2)C1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine?
The InChIKey is XHQLTWBTNLMQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-15-8-13(9-15)17-10-12-2-4-14(5-3-12)18-7-6-16-11-18/h2-7,11,13,15,17H,8-10H2,1H3.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine?
N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 104587926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).