N-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine

C16H23N3 — CID 107876062

IUPACN-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine
SMILESCC(C)C(CNCCn1ccnc1)c1ccccc1
InChIInChI=1S/C16H23N3/c1-14(2)16(15-6-4-3-5-7-15)12-17-8-10-19-11-9-18-13-19/h3-7,9,11,13-14,16-17H,8,10,12H2,1-2H3
InChIKeyCWDOJJXOVNSNBE-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.91
Rot. Bonds7

About N-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine

N-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine (PubChem CID 107876062) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine
PubChem CID107876062
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine
SMILESCC(C)C(CNCCn1ccnc1)c1ccccc1
InChIInChI=1S/C16H23N3/c1-14(2)16(15-6-4-3-5-7-15)12-17-8-10-19-11-9-18-13-19/h3-7,9,11,13-14,16-17H,8,10,12H2,1-2H3
InChIKeyCWDOJJXOVNSNBE-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-imidazol-1-ylethylamino)-1-phenylethanol
CID 60689397
3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 107876015
3-methyl-2-phenyl-N-[3-(triazol-1-yl)propyl]butan-1-amine
CID 107876383
1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60697416
1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 61463199
1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323866
1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol
CID 61462995
4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide
CID 63323955
N-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine
CID 61326348
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine
CID 107876087

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine (CID 107876062) is N-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine is CC(C)C(CNCCn1ccnc1)c1ccccc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine?
The InChIKey is CWDOJJXOVNSNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-14(2)16(15-6-4-3-5-7-15)12-17-8-10-19-11-9-18-13-19/h3-7,9,11,13-14,16-17H,8,10,12H2,1-2H3.
What are the key properties of N-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine?
N-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 107876062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).