N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine

C18H17Cl2N5O — CID 4726516

IUPACN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine
SMILESC=CCn1nnnc1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H17Cl2N5O/c1-2-8-25-18(22-23-24-25)21-11-13-4-3-5-16(9-13)26-12-14-6-7-15(19)10-17(14)20/h2-7,9-10H,1,8,11-12H2,(H,21,22,24)
InChIKeySSRFUGUQCHFVQS-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.36
Rot. Bonds8

About N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine

N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine (PubChem CID 4726516) has the molecular formula C18H17Cl2N5O and a molecular weight of 390.27 g/mol. Its IUPAC name is N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine
PubChem CID4726516
Molecular FormulaC18H17Cl2N5O
Molecular Weight390.27 g/mol
Exact Mass389.08
IUPAC NameN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine
SMILESC=CCn1nnnc1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H17Cl2N5O/c1-2-8-25-18(22-23-24-25)21-11-13-4-3-5-16(9-13)26-12-14-6-7-15(19)10-17(14)20/h2-7,9-10H,1,8,11-12H2,(H,21,22,24)
InChIKeySSRFUGUQCHFVQS-UHFFFAOYSA-N
XLogP4.36
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66542535
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propyltetrazol-5-amine
CID 4727264
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17295971
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66539665
N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66542866
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726583
N-[(2-chloro-4,5-diethoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 66541765
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66541589
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 4720614
(2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726182
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 4715527
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 4721735

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine?
The IUPAC name of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine (CID 4726516) is N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine.
What is the SMILES notation for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine?
The canonical SMILES for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine is C=CCn1nnnc1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine?
The InChIKey is SSRFUGUQCHFVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O/c1-2-8-25-18(22-23-24-25)21-11-13-4-3-5-16(9-13)26-12-14-6-7-15(19)10-17(14)20/h2-7,9-10H,1,8,11-12H2,(H,21,22,24).
What are the key properties of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine?
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine has a molecular weight of 390.27 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine is sourced from PubChem (CID 4726516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).