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

C15H23N5 — CID 107052981

IUPACN-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCCNCC(Cc1cccc(C)c1)Cc1nnn(C)n1
InChIInChI=1S/C15H23N5/c1-4-16-11-14(10-15-17-19-20(3)18-15)9-13-7-5-6-12(2)8-13/h5-8,14,16H,4,9-11H2,1-3H3
InChIKeyONDOUKTWDFXJGD-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.53
Rot. Bonds7

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

N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine (PubChem CID 107052981) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
PubChem CID107052981
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCCNCC(Cc1cccc(C)c1)Cc1nnn(C)n1
InChIInChI=1S/C15H23N5/c1-4-16-11-14(10-15-17-19-20(3)18-15)9-13-7-5-6-12(2)8-13/h5-8,14,16H,4,9-11H2,1-3H3
InChIKeyONDOUKTWDFXJGD-UHFFFAOYSA-N
XLogP1.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052991
2-[(4-bromophenyl)methyl]-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052967
N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62530963
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053035
2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 63523508
N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014370
N-ethyl-4-ethylsulfonyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62516449
N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine
CID 62516103
5-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-2-methyltetrazole
CID 107058150
N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine
CID 63520839
5-[2-(chloromethyl)-3-(3-fluorophenyl)propyl]-2-methyltetrazole
CID 107058012

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine (CID 107052981) is N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine is CCNCC(Cc1cccc(C)c1)Cc1nnn(C)n1.
What is the InChIKey of N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine?
The InChIKey is ONDOUKTWDFXJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-16-11-14(10-15-17-19-20(3)18-15)9-13-7-5-6-12(2)8-13/h5-8,14,16H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine?
N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 1.53, 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-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 107052981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).