N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine

C16H23N3O — CID 64603200

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H23N3O/c1-13(8-11-20-3)18-14(2)15-4-6-16(7-5-15)19-10-9-17-12-19/h4-7,9-10,12-14,18H,8,11H2,1-3H3
InChIKeyDFMZYTRFXZCKGZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.95
Rot. Bonds7

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine

N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine (PubChem CID 64603200) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine
PubChem CID64603200
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H23N3O/c1-13(8-11-20-3)18-14(2)15-4-6-16(7-5-15)19-10-9-17-12-19/h4-7,9-10,12-14,18H,8,11H2,1-3H3
InChIKeyDFMZYTRFXZCKGZ-UHFFFAOYSA-N
XLogP2.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785496
4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline
CID 75516703
N-[1-(4-imidazol-1-ylphenyl)ethyl]pent-4-yn-2-amine
CID 115725305
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine
CID 43205176
1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine
CID 115725692
1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905169
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 60815706
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine
CID 81356589
3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 43201587
2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine (CID 64603200) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine is COCCC(C)NC(C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine?
The InChIKey is DFMZYTRFXZCKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(8-11-20-3)18-14(2)15-4-6-16(7-5-15)19-10-9-17-12-19/h4-7,9-10,12-14,18H,8,11H2,1-3H3.
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine is sourced from PubChem (CID 64603200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).