N-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine

C15H21N3 — CID 105348525

IUPACN-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C15H21N3/c1-2-8-16-9-7-14-3-5-15(6-4-14)12-18-11-10-17-13-18/h3-6,10-11,13,16H,2,7-9,12H2,1H3
InChIKeyAXPZSZVSWOEYNP-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.47
Rot. Bonds7

About N-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine

N-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine (PubChem CID 105348525) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine
PubChem CID105348525
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C15H21N3/c1-2-8-16-9-7-14-3-5-15(6-4-14)12-18-11-10-17-13-18/h3-6,10-11,13,16H,2,7-9,12H2,1H3
InChIKeyAXPZSZVSWOEYNP-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755
N-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62446636
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine
CID 113314786
1,3-diethyl-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110916069
N-[4-(imidazol-1-ylmethyl)phenyl]methanimine
CID 123643271
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
1-butyl-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111064058
2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111064066
1-hexyl-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111064081
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-pentylguanidine
CID 111129345

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine (CID 105348525) is N-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine is CCCNCCc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is AXPZSZVSWOEYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-8-16-9-7-14-3-5-15(6-4-14)12-18-11-10-17-13-18/h3-6,10-11,13,16H,2,7-9,12H2,1H3.
What are the key properties of N-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine?
N-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 105348525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).