2-[2-[(4-tert-butylphenyl)methyl]-1H-imidazol-5-yl]ethanamine

C16H23N3 — CID 95465188

IUPAC2-[2-[(4-tert-butylphenyl)methyl]-1H-imidazol-5-yl]ethanamine
SMILESCC(C)(C)c1ccc(Cc2ncc(CCN)[nH]2)cc1
InChIInChI=1S/C16H23N3/c1-16(2,3)13-6-4-12(5-7-13)10-15-18-11-14(19-15)8-9-17/h4-7,11H,8-10,17H2,1-3H3,(H,18,19)
InChIKeyYPMDNMJHBRUJRL-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.80
Rot. Bonds4

About 2-[2-[(4-tert-butylphenyl)methyl]-1H-imidazol-5-yl]ethanamine

2-[2-[(4-tert-butylphenyl)methyl]-1H-imidazol-5-yl]ethanamine (PubChem CID 95465188) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[2-[(4-tert-butylphenyl)methyl]-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(4-tert-butylphenyl)methyl]-1H-imidazol-5-yl]ethanamine
PubChem CID95465188
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-[2-[(4-tert-butylphenyl)methyl]-1H-imidazol-5-yl]ethanamine
SMILESCC(C)(C)c1ccc(Cc2ncc(CCN)[nH]2)cc1
InChIInChI=1S/C16H23N3/c1-16(2,3)13-6-4-12(5-7-13)10-15-18-11-14(19-15)8-9-17/h4-7,11H,8-10,17H2,1-3H3,(H,18,19)
InChIKeyYPMDNMJHBRUJRL-UHFFFAOYSA-N
XLogP2.80
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-tert-butylphenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 82300474
2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine
CID 95466138
N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 55176708
4-[[5-(aminomethyl)-1H-imidazol-2-yl]methyl]phenol
CID 112545414
2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82300135
[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazol-5-yl]methanol
CID 63108311
2-[6-(4-tert-butylphenoxy)-3-pyridinyl]ethanamine
CID 80640150
2-[2-[(4-aminophenyl)methyl]-1H-imidazol-5-yl]acetic acid
CID 19797542
2-(2-dodecyl-1H-imidazol-5-yl)ethanamine
CID 10731390
4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
2-[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]ethanamine
CID 95457174
2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine
CID 84763864

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-tert-butylphenyl)methyl]-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-[(4-tert-butylphenyl)methyl]-1H-imidazol-5-yl]ethanamine (CID 95465188) is 2-[2-[(4-tert-butylphenyl)methyl]-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-[(4-tert-butylphenyl)methyl]-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-[(4-tert-butylphenyl)methyl]-1H-imidazol-5-yl]ethanamine is CC(C)(C)c1ccc(Cc2ncc(CCN)[nH]2)cc1.
What is the InChIKey of 2-[2-[(4-tert-butylphenyl)methyl]-1H-imidazol-5-yl]ethanamine?
The InChIKey is YPMDNMJHBRUJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(2,3)13-6-4-12(5-7-13)10-15-18-11-14(19-15)8-9-17/h4-7,11H,8-10,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-[(4-tert-butylphenyl)methyl]-1H-imidazol-5-yl]ethanamine?
2-[2-[(4-tert-butylphenyl)methyl]-1H-imidazol-5-yl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-tert-butylphenyl)methyl]-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 95465188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).