N-[2-(5-methyltetrazol-2-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine

C20H25N5O — CID 166383130

IUPACN-[2-(5-methyltetrazol-2-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine
SMILESCCCC(NCCn1nnc(C)n1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H25N5O/c1-3-7-20(21-14-15-25-23-16(2)22-24-25)17-10-12-19(13-11-17)26-18-8-5-4-6-9-18/h4-6,8-13,20-21H,3,7,14-15H2,1-2H3
InChIKeyADDPBRKYCZMAFA-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.90
Rot. Bonds9

About N-[2-(5-methyltetrazol-2-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine

N-[2-(5-methyltetrazol-2-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine (PubChem CID 166383130) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-(5-methyltetrazol-2-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine.

Molecular Properties

Compound NameN-[2-(5-methyltetrazol-2-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine
PubChem CID166383130
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[2-(5-methyltetrazol-2-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine
SMILESCCCC(NCCn1nnc(C)n1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H25N5O/c1-3-7-20(21-14-15-25-23-16(2)22-24-25)17-10-12-19(13-11-17)26-18-8-5-4-6-9-18/h4-6,8-13,20-21H,3,7,14-15H2,1-2H3
InChIKeyADDPBRKYCZMAFA-UHFFFAOYSA-N
XLogP3.90
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,4-dimethylpyrazol-3-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine
CID 166338655
1-(4-phenoxyphenyl)-N-(3-pyrazol-1-ylpropyl)butan-1-amine
CID 166338628
1,3,5-trimethyl-N-[1-(4-phenoxyphenyl)butyl]pyrazol-4-amine
CID 166338702
N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 19069357
(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 54006451
N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-1-(4-phenoxyphenyl)butan-1-amine
CID 167829497
3,5-dimethyl-N-[1-(4-phenoxyphenyl)butyl]-1-propan-2-ylpyrazol-4-amine
CID 166338722
N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline
CID 4712113
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol
CID 166338701
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
N-ethyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43489604

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyltetrazol-2-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine?
The IUPAC name of N-[2-(5-methyltetrazol-2-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine (CID 166383130) is N-[2-(5-methyltetrazol-2-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine.
What is the SMILES notation for N-[2-(5-methyltetrazol-2-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine?
The canonical SMILES for N-[2-(5-methyltetrazol-2-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine is CCCC(NCCn1nnc(C)n1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-(5-methyltetrazol-2-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine?
The InChIKey is ADDPBRKYCZMAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-3-7-20(21-14-15-25-23-16(2)22-24-25)17-10-12-19(13-11-17)26-18-8-5-4-6-9-18/h4-6,8-13,20-21H,3,7,14-15H2,1-2H3.
What are the key properties of N-[2-(5-methyltetrazol-2-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine?
N-[2-(5-methyltetrazol-2-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine has a molecular weight of 351.45 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyltetrazol-2-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine is sourced from PubChem (CID 166383130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).