N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine

C17H25N3 — CID 65230680

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(C)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C17H25N3/c1-13(2)10-15-4-6-16(7-5-15)14(3)19-9-8-17-11-18-12-20-17/h4-7,11-14,19H,8-10H2,1-3H3,(H,18,20)
InChIKeyDXLTYKDPFTXBCQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.50
Rot. Bonds7

About N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine

N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine (PubChem CID 65230680) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
PubChem CID65230680
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(C)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C17H25N3/c1-13(2)10-15-4-6-16(7-5-15)14(3)19-9-8-17-11-18-12-20-17/h4-7,11-14,19H,8-10H2,1-3H3,(H,18,20)
InChIKeyDXLTYKDPFTXBCQ-UHFFFAOYSA-N
XLogP3.50
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65230971
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 65230871
1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896080
(1S)-1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81353258
(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
CID 63714042
N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine
CID 65232249
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 65231921
4-[1-(1H-imidazol-5-ylmethylamino)ethyl]benzonitrile
CID 62762285
1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897141
1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65232163
1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65230546
1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 114058190

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine (CID 65230680) is N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine is CC(C)Cc1ccc(C(C)NCCc2cnc[nH]2)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is DXLTYKDPFTXBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13(2)10-15-4-6-16(7-5-15)14(3)19-9-8-17-11-18-12-20-17/h4-7,11-14,19H,8-10H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 65230680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).