N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine

C16H23N3 — CID 131949926

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine
SMILESCCCN(CCc1ccccc1)Cc1nc[nH]c1C
InChIInChI=1S/C16H23N3/c1-3-10-19(12-16-14(2)17-13-18-16)11-9-15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3,(H,17,18)
InChIKeyCFZCCODUNUVQNG-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.17
Rot. Bonds7

About N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine

N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine (PubChem CID 131949926) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine
PubChem CID131949926
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine
SMILESCCCN(CCc1ccccc1)Cc1nc[nH]c1C
InChIInChI=1S/C16H23N3/c1-3-10-19(12-16-14(2)17-13-18-16)11-9-15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3,(H,17,18)
InChIKeyCFZCCODUNUVQNG-UHFFFAOYSA-N
XLogP3.17
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N-(2-phenylethyl)propan-1-amine
CID 11370098
2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine
CID 67814456
2-[2-phenylethyl(propyl)amino]acetonitrile
CID 55206924
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
N,N-dibenzylpropan-1-amine
CID 10840212
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(2-phenylethoxy)benzamide
CID 135101944
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(4-phenylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 3308174
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
(2R)-2-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 107860714
N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-(2-phenylethyl)propan-1-amine
CID 42878126
N-benzyl-N-propylhexan-1-amine
CID 123983090
15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate
CID 173447970

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine (CID 131949926) is N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine is CCCN(CCc1ccccc1)Cc1nc[nH]c1C.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine?
The InChIKey is CFZCCODUNUVQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-10-19(12-16-14(2)17-13-18-16)11-9-15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3,(H,17,18).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine?
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine is sourced from PubChem (CID 131949926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).