N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine

C17H18ClN5O — CID 18778308

IUPACN-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine
SMILESCCn1nnc(NCc2ccccc2OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H18ClN5O/c1-2-23-21-17(20-22-23)19-11-14-5-3-4-6-16(14)24-12-13-7-9-15(18)10-8-13/h3-10H,2,11-12H2,1H3,(H,19,21)
InChIKeyYWAMSCRKNWYCCD-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.54
Rot. Bonds7

About N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine

N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine (PubChem CID 18778308) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine
PubChem CID18778308
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC NameN-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine
SMILESCCn1nnc(NCc2ccccc2OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H18ClN5O/c1-2-23-21-17(20-22-23)19-11-14-5-3-4-6-16(14)24-12-13-7-9-15(18)10-8-13/h3-10H,2,11-12H2,1H3,(H,19,21)
InChIKeyYWAMSCRKNWYCCD-UHFFFAOYSA-N
XLogP3.54
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.54
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-(benzyloxy)benzyl]-1H-tetrazol-5-amine
CID 4727170
N-{2-[(4-fluorobenzyl)oxy]benzyl}-1-propyl-1H-tetrazol-5-amine
CID 1249569
5-(4-Chlorophenyl)-7-(2-ethoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 4366500
N-{2-[(4-chlorobenzyl)oxy]benzyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine
CID 15943346
N-{2-[(4-chlorobenzyl)oxy]benzyl}-N-{2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]ethyl}amine
CID 15945732
N-(5-chloro-2-ethoxybenzyl)-1H-tetrazol-5-amine
CID 4725453
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2H-tetrazol-5-amine
CID 4727173
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4727681
N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine
CID 6457276
N-{5-chloro-2-[(4-methylbenzyl)oxy]benzyl}-2H-tetrazol-5-amine
CID 17057711

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine?
The IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine (CID 18778308) is N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine.
What is the SMILES notation for N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine?
The canonical SMILES for N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine is CCn1nnc(NCc2ccccc2OCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine?
The InChIKey is YWAMSCRKNWYCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-2-23-21-17(20-22-23)19-11-14-5-3-4-6-16(14)24-12-13-7-9-15(18)10-8-13/h3-10H,2,11-12H2,1H3,(H,19,21).
What are the key properties of N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine?
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine has a molecular weight of 343.82 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethyltetrazol-5-amine is sourced from PubChem (CID 18778308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).