4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline

C14H19N3O — CID 75516703

IUPAC4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline
SMILESCOCCC(C)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H19N3O/c1-12(7-10-18-2)16-13-3-5-14(6-4-13)17-9-8-15-11-17/h3-6,8-9,11-12,16H,7,10H2,1-2H3
InChIKeyNCZKJQYWZKXSCC-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.71
Rot. Bonds6

About 4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline

4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline (PubChem CID 75516703) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline.

Molecular Properties

Compound Name4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline
PubChem CID75516703
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline
SMILESCOCCC(C)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H19N3O/c1-12(7-10-18-2)16-13-3-5-14(6-4-13)17-9-8-15-11-17/h3-6,8-9,11-12,16H,7,10H2,1-2H3
InChIKeyNCZKJQYWZKXSCC-UHFFFAOYSA-N
XLogP2.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine
CID 64603200
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine
CID 43205176
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295
3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785496
N-hexan-2-yl-3-imidazol-1-ylaniline
CID 43779875
1-[4-(2-methoxyethylsulfanylmethyl)phenyl]imidazole
CID 75376269
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
N-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine
CID 154751921
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 60815706
3-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534254
1-(4-butan-2-yloxyphenyl)imidazole
CID 91295981

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline?
The IUPAC name of 4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline (CID 75516703) is 4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline.
What is the SMILES notation for 4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline?
The canonical SMILES for 4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline is COCCC(C)Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline?
The InChIKey is NCZKJQYWZKXSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-12(7-10-18-2)16-13-3-5-14(6-4-13)17-9-8-15-11-17/h3-6,8-9,11-12,16H,7,10H2,1-2H3.
What are the key properties of 4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline?
4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline has a molecular weight of 245.33 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline is sourced from PubChem (CID 75516703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).