N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine

C12H17N5 — CID 123160214

IUPACN-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NC(Cc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C12H17N5/c1-9(2)13-11(12-14-16-17-15-12)8-10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3,(H,14,15,16,17)
InChIKeyFIOYHRLQICAKHM-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.48
Rot. Bonds5

About N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine

N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine (PubChem CID 123160214) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine
PubChem CID123160214
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NC(Cc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C12H17N5/c1-9(2)13-11(12-14-16-17-15-12)8-10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3,(H,14,15,16,17)
InChIKeyFIOYHRLQICAKHM-UHFFFAOYSA-N
XLogP1.48
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine
CID 79007809
2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide
CID 70868647
ethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole
CID 178128816
N-[(1S)-1-(furan-2-yl)-2-phenylethyl]propan-2-amine
CID 125485917
[3-phenyl-1-(2H-tetrazol-5-yl)propyl]carbamic acid
CID 22626937
1-(4-fluorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propan-2-amine
CID 114829652
N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 61335195
2-[[2-(dimethylamino)-2-oxoethoxy]-[[[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methyl]phosphoryl]oxy-N,N-dimethylacetamide
CID 54062494
(2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118499935
ethane;5-[(2S)-1-(4-phenylphenyl)propan-2-yl]-2H-tetrazole;(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethanamine
CID 158292765
[(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid
CID 118308786
2,3-dimethylbutylbenzene
CID 12054035

Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine (CID 123160214) is N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine is CC(C)NC(Cc1ccccc1)c1nn[nH]n1.
What is the InChIKey of N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine?
The InChIKey is FIOYHRLQICAKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9(2)13-11(12-14-16-17-15-12)8-10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine?
N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 123160214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).