N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine

C14H19N3 — CID 54976417

IUPACN-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine
SMILESCCCC(NCc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C14H19N3/c1-2-6-13(12-7-4-3-5-8-12)17-11-14-15-9-10-16-14/h3-5,7-10,13,17H,2,6,11H2,1H3,(H,15,16)
InChIKeyONWPJXDAOOKCTQ-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.04
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine

N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine (PubChem CID 54976417) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine
PubChem CID54976417
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine
SMILESCCCC(NCc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C14H19N3/c1-2-6-13(12-7-4-3-5-8-12)17-11-14-15-9-10-16-14/h3-5,7-10,13,17H,2,6,11H2,1H3,(H,15,16)
InChIKeyONWPJXDAOOKCTQ-UHFFFAOYSA-N
XLogP3.04
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol
CID 63182355
N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine
CID 113235607
1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride
CID 17155648
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide
CID 17498145
(1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine
CID 167885469
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide
CID 17454227
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 64546221
4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol
CID 111449052
1-phenyl-N-prop-2-enylbutan-1-amine
CID 43177099
N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263
(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 81368803
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine (CID 54976417) is N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine is CCCC(NCc1ncc[nH]1)c1ccccc1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine?
The InChIKey is ONWPJXDAOOKCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-6-13(12-7-4-3-5-8-12)17-11-14-15-9-10-16-14/h3-5,7-10,13,17H,2,6,11H2,1H3,(H,15,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine?
N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine is sourced from PubChem (CID 54976417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).