N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine

C19H21ClFN5O2 — CID 4725617

IUPACN-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1
InChIInChI=1S/C19H21ClFN5O2/c1-3-8-26-19(23-24-25-26)22-11-13-4-7-17(18(9-13)27-2)28-12-14-5-6-15(21)10-16(14)20/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,22,23,25)
InChIKeyWAAYQMZOZKWDOH-UHFFFAOYSA-N
MW405.86 g/mol
LogP4.08
Rot. Bonds9

About N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine

N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine (PubChem CID 4725617) has the molecular formula C19H21ClFN5O2 and a molecular weight of 405.86 g/mol. Its IUPAC name is N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
PubChem CID4725617
Molecular FormulaC19H21ClFN5O2
Molecular Weight405.86 g/mol
Exact Mass405.14
IUPAC NameN-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1
InChIInChI=1S/C19H21ClFN5O2/c1-3-8-26-19(23-24-25-26)22-11-13-4-7-17(18(9-13)27-2)28-12-14-5-6-15(21)10-16(14)20/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,22,23,25)
InChIKeyWAAYQMZOZKWDOH-UHFFFAOYSA-N
XLogP4.08
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-butyl-N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazol-5-amine
CID 4725635
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4725619
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4727254
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66540383
1-butyl-N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazol-5-amine
CID 66540920
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine
CID 4719461
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-1-amine;hydrochloride
CID 17293721
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66544816
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]hexan-1-amine
CID 4719476
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17294024
(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
CID 51435290
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294375

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine (CID 4725617) is N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1.
What is the InChIKey of N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine?
The InChIKey is WAAYQMZOZKWDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5O2/c1-3-8-26-19(23-24-25-26)22-11-13-4-7-17(18(9-13)27-2)28-12-14-5-6-15(21)10-16(14)20/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,22,23,25).
What are the key properties of N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine?
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine has a molecular weight of 405.86 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 4725617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).