N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine

C18H20ClN5O — CID 4727264

IUPACN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClN5O/c1-2-10-24-18(21-22-23-24)20-12-15-4-3-5-17(11-15)25-13-14-6-8-16(19)9-7-14/h3-9,11H,2,10,12-13H2,1H3,(H,20,21,23)
InChIKeyYXEMXLSWQTVJFK-UHFFFAOYSA-N
MW357.85 g/mol
LogP3.93
Rot. Bonds8

About N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine (PubChem CID 4727264) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine
PubChem CID4727264
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClN5O/c1-2-10-24-18(21-22-23-24)20-12-15-4-3-5-17(11-15)25-13-14-6-8-16(19)9-7-14/h3-9,11H,2,10,12-13H2,1H3,(H,20,21,23)
InChIKeyYXEMXLSWQTVJFK-UHFFFAOYSA-N
XLogP3.93
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66544816
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4727254
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726516
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4725619
N-[(4-propoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 44615786
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-butyltetrazol-5-amine
CID 4725699
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 23795626
N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine
CID 66540944
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 4727502
5-(4-chlorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine
CID 4691572
1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine
CID 66538914
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4725617

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine (CID 4727264) is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine?
The InChIKey is YXEMXLSWQTVJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-2-10-24-18(21-22-23-24)20-12-15-4-3-5-17(11-15)25-13-14-6-8-16(19)9-7-14/h3-9,11H,2,10,12-13H2,1H3,(H,20,21,23).
What are the key properties of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine?
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine has a molecular weight of 357.85 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 4727264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).