N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine

C14H21N5O — CID 107048302

IUPACN-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine
SMILESCCNC(CCOc1ccccc1)Cc1nnn(C)n1
InChIInChI=1S/C14H21N5O/c1-3-15-12(11-14-16-18-19(2)17-14)9-10-20-13-7-5-4-6-8-13/h4-8,12,15H,3,9-11H2,1-2H3
InChIKeyMSTVKDQKCCDEEK-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.20
Rot. Bonds8

About N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine

N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine (PubChem CID 107048302) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine
PubChem CID107048302
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine
SMILESCCNC(CCOc1ccccc1)Cc1nnn(C)n1
InChIInChI=1S/C14H21N5O/c1-3-15-12(11-14-16-18-19(2)17-14)9-10-20-13-7-5-4-6-8-13/h4-8,12,15H,3,9-11H2,1-2H3
InChIKeyMSTVKDQKCCDEEK-UHFFFAOYSA-N
XLogP1.20
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine
CID 107048305
N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine
CID 107048963
N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107065191
1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine
CID 107048747
N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine
CID 79825125
N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine
CID 79751315
N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine
CID 107048946
1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049697
N-ethyl-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107049227
N-ethyl-1-(2-methyltetrazol-5-yl)-3-thiophen-3-ylpropan-2-amine
CID 107065100
1-(3-bromophenyl)-N-ethyl-4-phenoxybutan-2-amine
CID 60798298
N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048584

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine?
The IUPAC name of N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine (CID 107048302) is N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine is CCNC(CCOc1ccccc1)Cc1nnn(C)n1.
What is the InChIKey of N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine?
The InChIKey is MSTVKDQKCCDEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-15-12(11-14-16-18-19(2)17-14)9-10-20-13-7-5-4-6-8-13/h4-8,12,15H,3,9-11H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine?
N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine has a molecular weight of 275.36 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine is sourced from PubChem (CID 107048302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).