N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine

C16H23N3 — CID 66134874

IUPACN-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
SMILESCCn1cncc1CNCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H23N3/c1-4-19-12-18-11-16(19)10-17-9-14-5-7-15(8-6-14)13(2)3/h5-8,11-13,17H,4,9-10H2,1-3H3
InChIKeyVBLUXMYJCIPTCL-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.32
Rot. Bonds6

About N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine

N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 66134874) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
PubChem CID66134874
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
SMILESCCn1cncc1CNCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H23N3/c1-4-19-12-18-11-16(19)10-17-9-14-5-7-15(8-6-14)13(2)3/h5-8,11-13,17H,4,9-10H2,1-3H3
InChIKeyVBLUXMYJCIPTCL-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine
CID 66116948
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142
N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 66129988
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine
CID 66118854
N-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
CID 66116744
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline
CID 66134574
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66244272
N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
CID 66118440

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine (CID 66134874) is N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine is CCn1cncc1CNCc1ccc(C(C)C)cc1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is VBLUXMYJCIPTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-19-12-18-11-16(19)10-17-9-14-5-7-15(8-6-14)13(2)3/h5-8,11-13,17H,4,9-10H2,1-3H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 66134874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).