N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine

C19H22ClN5O2 — CID 66540942

IUPACN-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine
SMILESCCOc1cc(CNc2nnnn2C)c(Cl)cc1OCc1cccc(C)c1
InChIInChI=1S/C19H22ClN5O2/c1-4-26-17-9-15(11-21-19-22-23-24-25(19)3)16(20)10-18(17)27-12-14-7-5-6-13(2)8-14/h5-10H,4,11-12H2,1-3H3,(H,21,22,24)
InChIKeyKGMSTPXCQWASGT-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.76
Rot. Bonds8

About N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine

N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine (PubChem CID 66540942) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine
PubChem CID66540942
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC NameN-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine
SMILESCCOc1cc(CNc2nnnn2C)c(Cl)cc1OCc1cccc(C)c1
InChIInChI=1S/C19H22ClN5O2/c1-4-26-17-9-15(11-21-19-22-23-24-25(19)3)16(20)10-18(17)27-12-14-7-5-6-13(2)8-14/h5-10H,4,11-12H2,1-3H3,(H,21,22,24)
InChIKeyKGMSTPXCQWASGT-UHFFFAOYSA-N
XLogP3.76
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine
CID 66540944
N-[[2-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66540004
3,5-dichloro-N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]aniline
CID 66540707
1-butyl-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazol-5-amine
CID 66540970
2,5-dichloro-N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]aniline
CID 66540746
4-bromo-N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]aniline
CID 66540510
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 4727588
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727571
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66540383
N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 66538020
N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 66531414
2-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-methylpentanoic acid
CID 66531822

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine (CID 66540942) is N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine is CCOc1cc(CNc2nnnn2C)c(Cl)cc1OCc1cccc(C)c1.
What is the InChIKey of N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine?
The InChIKey is KGMSTPXCQWASGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-4-26-17-9-15(11-21-19-22-23-24-25(19)3)16(20)10-18(17)27-12-14-7-5-6-13(2)8-14/h5-10H,4,11-12H2,1-3H3,(H,21,22,24).
What are the key properties of N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine?
N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine has a molecular weight of 387.87 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 66540942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).