N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine

C18H27N3 — CID 43749787

IUPACN-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H27N3/c1-14(12-21-11-10-19-13-21)20-15(2)16-6-8-17(9-7-16)18(3,4)5/h6-11,13-15,20H,12H2,1-5H3
InChIKeyPZTOHJQPGQIVQZ-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.92
Rot. Bonds5

About N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine

N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine (PubChem CID 43749787) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
PubChem CID43749787
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H27N3/c1-14(12-21-11-10-19-13-21)20-15(2)16-6-8-17(9-7-16)18(3,4)5/h6-11,13-15,20H,12H2,1-5H3
InChIKeyPZTOHJQPGQIVQZ-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
CID 43749714
4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749727
1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749824
1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine
CID 43791961
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43791944
1-imidazol-1-yl-N-[1-(4-iodophenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 43791898
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442
1-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 43749780
N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide
CID 54958672
1-[3-(4-tert-butylphenyl)sulfanyl-2-chloropropyl]imidazole
CID 23311306
3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine
CID 43792012

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine (CID 43749787) is N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine is CC(Cn1ccnc1)NC(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine?
The InChIKey is PZTOHJQPGQIVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14(12-21-11-10-19-13-21)20-15(2)16-6-8-17(9-7-16)18(3,4)5/h6-11,13-15,20H,12H2,1-5H3.
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine?
N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine is sourced from PubChem (CID 43749787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).