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

C17H25N3 — CID 43749714

IUPAC1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
SMILESCC(Cn1ccnc1)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H25N3/c1-13(2)16-5-7-17(8-6-16)15(4)19-14(3)11-20-10-9-18-12-20/h5-10,12-15,19H,11H2,1-4H3
InChIKeyBDJBHIIHEPRZLY-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.75
Rot. Bonds6

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

1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine (PubChem CID 43749714) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
PubChem CID43749714
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
SMILESCC(Cn1ccnc1)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H25N3/c1-13(2)16-5-7-17(8-6-16)15(4)19-14(3)11-20-10-9-18-12-20/h5-10,12-15,19H,11H2,1-4H3
InChIKeyBDJBHIIHEPRZLY-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749787
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749824
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
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-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 43749780
1-imidazol-1-yl-N-[1-(4-iodophenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 43791898
2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline
CID 61482768
3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine
CID 43792012
4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61480807

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine (CID 43749714) is 1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine is CC(Cn1ccnc1)NC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine?
The InChIKey is BDJBHIIHEPRZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13(2)16-5-7-17(8-6-16)15(4)19-14(3)11-20-10-9-18-12-20/h5-10,12-15,19H,11H2,1-4H3.
What are the key properties of 1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine?
1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 43749714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).