N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine

C13H18ClN5O2 — CID 66542157

IUPACN-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCCOc1cc(CNc2nn[nH]n2)c(Cl)cc1OC(C)C
InChIInChI=1S/C13H18ClN5O2/c1-4-20-11-5-9(7-15-13-16-18-19-17-13)10(14)6-12(11)21-8(2)3/h5-6,8H,4,7H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyQRSRHNRUNIPHOO-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.65
Rot. Bonds7

About N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine

N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 66542157) has the molecular formula C13H18ClN5O2 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine
PubChem CID66542157
Molecular FormulaC13H18ClN5O2
Molecular Weight311.77 g/mol
Exact Mass311.11
IUPAC NameN-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCCOc1cc(CNc2nn[nH]n2)c(Cl)cc1OC(C)C
InChIInChI=1S/C13H18ClN5O2/c1-4-20-11-5-9(7-15-13-16-18-19-17-13)10(14)6-12(11)21-8(2)3/h5-6,8H,4,7H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyQRSRHNRUNIPHOO-UHFFFAOYSA-N
XLogP2.65
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66542076
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 66532416
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66542280
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 66541849
2-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 2959836
1-N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]tetrazole-1,5-diamine
CID 66542079
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66543142
N'-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 66538110
2-[3-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]propylamino]ethanol
CID 66537972
5-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]pentan-1-ol
CID 66532393
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 50973420
N-[[2-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
CID 66541905

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine (CID 66542157) is N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine is CCOc1cc(CNc2nn[nH]n2)c(Cl)cc1OC(C)C.
What is the InChIKey of N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is QRSRHNRUNIPHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O2/c1-4-20-11-5-9(7-15-13-16-18-19-17-13)10(14)6-12(11)21-8(2)3/h5-6,8H,4,7H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine?
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 311.77 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 66542157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).