1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine

C19H17ClN6O — CID 4727212

IUPAC1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12
InChIInChI=1S/C19H17ClN6O/c20-15-8-5-13(6-9-15)12-27-18-10-7-14-3-1-2-4-16(14)17(18)11-22-26-19(21)23-24-25-26/h1-10,22H,11-12H2,(H2,21,23,25)
InChIKeySFXGXLHHXPWMHL-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.38
Rot. Bonds6

About 1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine

1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine (PubChem CID 4727212) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is 1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine
PubChem CID4727212
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC Name1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12
InChIInChI=1S/C19H17ClN6O/c20-15-8-5-13(6-9-15)12-27-18-10-7-14-3-1-2-4-16(14)17(18)11-22-26-19(21)23-24-25-26/h1-10,22H,11-12H2,(H2,21,23,25)
InChIKeySFXGXLHHXPWMHL-UHFFFAOYSA-N
XLogP3.38
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine
CID 4727407
1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727411
1-N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
CID 66539682
2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine
CID 17208421
1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17289773
2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid
CID 66527086
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1H-1,2,4-triazol-5-amine
CID 17058803
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-methylbutan-2-amine;hydrochloride
CID 17210770
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride
CID 17296016
2-[2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294792
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526135
1-N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 66544134

Frequently Asked Questions

What is the IUPAC name of 1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine (CID 4727212) is 1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine is Nc1nnnn1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12.
What is the InChIKey of 1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine?
The InChIKey is SFXGXLHHXPWMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c20-15-8-5-13(6-9-15)12-27-18-10-7-14-3-1-2-4-16(14)17(18)11-22-26-19(21)23-24-25-26/h1-10,22H,11-12H2,(H2,21,23,25).
What are the key properties of 1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine?
1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine has a molecular weight of 380.84 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 4727212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).