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

C22H28ClN5O2 — CID 66540970

IUPAC1-butyl-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazol-5-amine
SMILESCCCCn1nnnc1NCc1cc(OCC)c(OCc2ccc(C)cc2)cc1Cl
InChIInChI=1S/C22H28ClN5O2/c1-4-6-11-28-22(25-26-27-28)24-14-18-12-20(29-5-2)21(13-19(18)23)30-15-17-9-7-16(3)8-10-17/h7-10,12-13H,4-6,11,14-15H2,1-3H3,(H,24,25,27)
InChIKeyIALZMDDFTXBTHJ-UHFFFAOYSA-N
MW429.95 g/mol
LogP5.02
Rot. Bonds11

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

1-butyl-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazol-5-amine (PubChem CID 66540970) has the molecular formula C22H28ClN5O2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 1-butyl-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-butyl-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazol-5-amine
PubChem CID66540970
Molecular FormulaC22H28ClN5O2
Molecular Weight429.95 g/mol
Exact Mass429.19
IUPAC Name1-butyl-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazol-5-amine
SMILESCCCCn1nnnc1NCc1cc(OCC)c(OCc2ccc(C)cc2)cc1Cl
InChIInChI=1S/C22H28ClN5O2/c1-4-6-11-28-22(25-26-27-28)24-14-18-12-20(29-5-2)21(13-19(18)23)30-15-17-9-7-16(3)8-10-17/h7-10,12-13H,4-6,11,14-15H2,1-3H3,(H,24,25,27)
InChIKeyIALZMDDFTXBTHJ-UHFFFAOYSA-N
XLogP5.02
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-butyl-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazol-5-amine with MolForge

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Related Compounds

N-[[2-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-butyltetrazol-5-amine
CID 66542108
N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine
CID 66540944
1-butyl-N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazol-5-amine
CID 66540920
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-butyltetrazol-5-amine
CID 66541744
N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine
CID 66540942
N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
CID 66540391
N-[(2-chloro-4,5-diethoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 66541765
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-butyltetrazol-5-amine
CID 4725699
3,5-dichloro-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 66540699
N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66531450
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66539665
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66544816

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazol-5-amine?
The IUPAC name of 1-butyl-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazol-5-amine (CID 66540970) is 1-butyl-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazol-5-amine.
What is the SMILES notation for 1-butyl-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazol-5-amine?
The canonical SMILES for 1-butyl-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazol-5-amine is CCCCn1nnnc1NCc1cc(OCC)c(OCc2ccc(C)cc2)cc1Cl.
What is the InChIKey of 1-butyl-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazol-5-amine?
The InChIKey is IALZMDDFTXBTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O2/c1-4-6-11-28-22(25-26-27-28)24-14-18-12-20(29-5-2)21(13-19(18)23)30-15-17-9-7-16(3)8-10-17/h7-10,12-13H,4-6,11,14-15H2,1-3H3,(H,24,25,27).
What are the key properties of 1-butyl-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazol-5-amine?
1-butyl-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazol-5-amine has a molecular weight of 429.95 g/mol, XLogP of 5.02, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazol-5-amine is sourced from PubChem (CID 66540970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).