(Z)-3-[2-[4-[3-(4-methoxyphenyl)propoxy]phenyl]ethylimino]prop-1-en-1-amine

C21H26N2O2 — CID 162357928

IUPAC(Z)-3-[2-[4-[3-(4-methoxyphenyl)propoxy]phenyl]ethylimino]prop-1-en-1-amine
SMILESCOc1ccc(CCCOc2ccc(CC/N=C/C=C\N)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-24-20-9-5-18(6-10-20)4-2-17-25-21-11-7-19(8-12-21)13-16-23-15-3-14-22/h3,5-12,14-15H,2,4,13,16-17,22H2,1H3/b14-3-,23-15+
InChIKeyYVDYWVYTMVMBHV-JJUVKGSJSA-N
MW338.45 g/mol
LogP3.79
Rot. Bonds10

About (Z)-3-[2-[4-[3-(4-methoxyphenyl)propoxy]phenyl]ethylimino]prop-1-en-1-amine

(Z)-3-[2-[4-[3-(4-methoxyphenyl)propoxy]phenyl]ethylimino]prop-1-en-1-amine (PubChem CID 162357928) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (Z)-3-[2-[4-[3-(4-methoxyphenyl)propoxy]phenyl]ethylimino]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[2-[4-[3-(4-methoxyphenyl)propoxy]phenyl]ethylimino]prop-1-en-1-amine
PubChem CID162357928
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(Z)-3-[2-[4-[3-(4-methoxyphenyl)propoxy]phenyl]ethylimino]prop-1-en-1-amine
SMILESCOc1ccc(CCCOc2ccc(CC/N=C/C=C\N)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-24-20-9-5-18(6-10-20)4-2-17-25-21-11-7-19(8-12-21)13-16-23-15-3-14-22/h3,5-12,14-15H,2,4,13,16-17,22H2,1H3/b14-3-,23-15+
InChIKeyYVDYWVYTMVMBHV-JJUVKGSJSA-N
XLogP3.79
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-aminophenoxy)propyl]aniline
CID 146744980
2-[2-(4-pentoxyphenyl)ethyl]guanidine
CID 161155288
(2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol
CID 59655604
1-(3-chloropropoxy)-4-[(4-methoxyphenyl)methyl]benzene
CID 144539206
5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine
CID 67874804
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-[4-[3-(4-methoxyphenyl)propoxy]phenyl]ethylimino]prop-1-en-1-amine?
The IUPAC name of (Z)-3-[2-[4-[3-(4-methoxyphenyl)propoxy]phenyl]ethylimino]prop-1-en-1-amine (CID 162357928) is (Z)-3-[2-[4-[3-(4-methoxyphenyl)propoxy]phenyl]ethylimino]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-[2-[4-[3-(4-methoxyphenyl)propoxy]phenyl]ethylimino]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-[2-[4-[3-(4-methoxyphenyl)propoxy]phenyl]ethylimino]prop-1-en-1-amine is COc1ccc(CCCOc2ccc(CC/N=C/C=C\N)cc2)cc1.
What is the InChIKey of (Z)-3-[2-[4-[3-(4-methoxyphenyl)propoxy]phenyl]ethylimino]prop-1-en-1-amine?
The InChIKey is YVDYWVYTMVMBHV-JJUVKGSJSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-24-20-9-5-18(6-10-20)4-2-17-25-21-11-7-19(8-12-21)13-16-23-15-3-14-22/h3,5-12,14-15H,2,4,13,16-17,22H2,1H3/b14-3-,23-15+.
What are the key properties of (Z)-3-[2-[4-[3-(4-methoxyphenyl)propoxy]phenyl]ethylimino]prop-1-en-1-amine?
(Z)-3-[2-[4-[3-(4-methoxyphenyl)propoxy]phenyl]ethylimino]prop-1-en-1-amine has a molecular weight of 338.45 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-[4-[3-(4-methoxyphenyl)propoxy]phenyl]ethylimino]prop-1-en-1-amine is sourced from PubChem (CID 162357928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).