1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine

C15H21N3 — CID 43791961

IUPAC1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine
SMILESCc1cccc(C(C)NC(C)Cn2ccnc2)c1
InChIInChI=1S/C15H21N3/c1-12-5-4-6-15(9-12)14(3)17-13(2)10-18-8-7-16-11-18/h4-9,11,13-14,17H,10H2,1-3H3
InChIKeyVUINRHYKGYIISM-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.93
Rot. Bonds5

About 1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine

1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine (PubChem CID 43791961) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine
PubChem CID43791961
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine
SMILESCc1cccc(C(C)NC(C)Cn2ccnc2)c1
InChIInChI=1S/C15H21N3/c1-12-5-4-6-15(9-12)14(3)17-13(2)10-18-8-7-16-11-18/h4-9,11,13-14,17H,10H2,1-3H3
InChIKeyVUINRHYKGYIISM-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43773811
1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
CID 43749714
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
4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749727
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43791944
3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine
CID 43792012
1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 61479372
1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323866
1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine
CID 104867052
1-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 43749780

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine (CID 43791961) is 1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine is Cc1cccc(C(C)NC(C)Cn2ccnc2)c1.
What is the InChIKey of 1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine?
The InChIKey is VUINRHYKGYIISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-5-4-6-15(9-12)14(3)17-13(2)10-18-8-7-16-11-18/h4-9,11,13-14,17H,10H2,1-3H3.
What are the key properties of 1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine?
1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.93, 5 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-(3-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 43791961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).