1-butyl-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazol-5-amine

C19H21ClFN5O — CID 4725730

IUPAC1-butyl-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazol-5-amine
SMILESCCCCn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C19H21ClFN5O/c1-2-3-10-26-19(23-24-25-26)22-12-15-11-16(20)6-9-18(15)27-13-14-4-7-17(21)8-5-14/h4-9,11H,2-3,10,12-13H2,1H3,(H,22,23,25)
InChIKeyGHHMVBLNPCWLMM-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.46
Rot. Bonds9

About 1-butyl-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazol-5-amine

1-butyl-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazol-5-amine (PubChem CID 4725730) has the molecular formula C19H21ClFN5O and a molecular weight of 389.86 g/mol. Its IUPAC name is 1-butyl-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-butyl-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazol-5-amine
PubChem CID4725730
Molecular FormulaC19H21ClFN5O
Molecular Weight389.86 g/mol
Exact Mass389.14
IUPAC Name1-butyl-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazol-5-amine
SMILESCCCCn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C19H21ClFN5O/c1-2-3-10-26-19(23-24-25-26)22-12-15-11-16(20)6-9-18(15)27-13-14-4-7-17(21)8-5-14/h4-9,11H,2-3,10,12-13H2,1H3,(H,22,23,25)
InChIKeyGHHMVBLNPCWLMM-UHFFFAOYSA-N
XLogP4.46
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 4725740
N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4727256
N-[(2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727595
N-{4-[(2-chloro-4-fluorobenzyl)oxy]-3-methoxybenzyl}-1-ethyl-1H-tetrazol-5-amine
CID 979876
N-{4-[(2-chloro-4-fluorobenzyl)oxy]-3-methoxybenzyl}-1-methyl-1H-tetrazol-5-amine
CID 2985887
N-{5-chloro-2-[(2-fluorobenzyl)oxy]benzyl}-N-{3-[(1-methyl-1H-tetrazol-5-yl)thio]propyl}amine
CID 16014899
N-{2-[(4-chlorobenzyl)oxy]benzyl}-2-ethyl-2H-tetrazol-5-amine
CID 18778308
N-(5-chloro-2-ethoxybenzyl)-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine
CID 6485945
N-{5-chloro-2-[(4-fluorobenzyl)oxy]benzyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine
CID 15943341
N-{4-[(2-chloro-6-fluorobenzyl)oxy]-3-methoxybenzyl}-1-ethyl-1H-tetrazol-5-amine
CID 979878
N-{2-[(4-fluorobenzyl)oxy]benzyl}-1-propyl-1H-tetrazol-5-amine
CID 1249569
N-[2-(benzyloxy)-5-chlorobenzyl]-N-{2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]ethyl}amine
CID 15945731

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazol-5-amine?
The IUPAC name of 1-butyl-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazol-5-amine (CID 4725730) is 1-butyl-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazol-5-amine.
What is the SMILES notation for 1-butyl-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazol-5-amine?
The canonical SMILES for 1-butyl-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazol-5-amine is CCCCn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 1-butyl-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazol-5-amine?
The InChIKey is GHHMVBLNPCWLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5O/c1-2-3-10-26-19(23-24-25-26)22-12-15-11-16(20)6-9-18(15)27-13-14-4-7-17(21)8-5-14/h4-9,11H,2-3,10,12-13H2,1H3,(H,22,23,25).
What are the key properties of 1-butyl-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazol-5-amine?
1-butyl-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazol-5-amine has a molecular weight of 389.86 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazol-5-amine is sourced from PubChem (CID 4725730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).