N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine

C14H20FN5 — CID 107052991

IUPACN-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCCNCC(Cc1cccc(F)c1)Cc1nnn(C)n1
InChIInChI=1S/C14H20FN5/c1-3-16-10-12(9-14-17-19-20(2)18-14)7-11-5-4-6-13(15)8-11/h4-6,8,12,16H,3,7,9-10H2,1-2H3
InChIKeyXHJKCZRIIHFCSA-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.36
Rot. Bonds7

About N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine

N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine (PubChem CID 107052991) has the molecular formula C14H20FN5 and a molecular weight of 277.35 g/mol. Its IUPAC name is N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
PubChem CID107052991
Molecular FormulaC14H20FN5
Molecular Weight277.35 g/mol
Exact Mass277.17
IUPAC NameN-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCCNCC(Cc1cccc(F)c1)Cc1nnn(C)n1
InChIInChI=1S/C14H20FN5/c1-3-16-10-12(9-14-17-19-20(2)18-14)7-11-5-4-6-13(15)8-11/h4-6,8,12,16H,3,7,9-10H2,1-2H3
InChIKeyXHJKCZRIIHFCSA-UHFFFAOYSA-N
XLogP1.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052981
5-[2-(chloromethyl)-3-(3-fluorophenyl)propyl]-2-methyltetrazole
CID 107058012
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053035
2-[(4-bromophenyl)methyl]-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052967
2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052945
5-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-2-methyltetrazole
CID 107058150
2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine
CID 103984333
2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63523316
2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine
CID 63521196
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107046487
N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048347

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine (CID 107052991) is N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine is CCNCC(Cc1cccc(F)c1)Cc1nnn(C)n1.
What is the InChIKey of N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine?
The InChIKey is XHJKCZRIIHFCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5/c1-3-16-10-12(9-14-17-19-20(2)18-14)7-11-5-4-6-13(15)8-11/h4-6,8,12,16H,3,7,9-10H2,1-2H3.
What are the key properties of N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine?
N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine has a molecular weight of 277.35 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 107052991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).