N-[(2-methoxyphenyl)methyl]-N-(quinolin-2-ylmethyl)prop-2-en-1-amine

C21H22N2O — CID 46995623

IUPACN-[(2-methoxyphenyl)methyl]-N-(quinolin-2-ylmethyl)prop-2-en-1-amine
SMILESC=CCN(Cc1ccc2ccccc2n1)Cc1ccccc1OC
InChIInChI=1S/C21H22N2O/c1-3-14-23(15-18-9-5-7-11-21(18)24-2)16-19-13-12-17-8-4-6-10-20(17)22-19/h3-13H,1,14-16H2,2H3
InChIKeyVPHJUGDZJDSHRR-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.43
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-N-(quinolin-2-ylmethyl)prop-2-en-1-amine

N-[(2-methoxyphenyl)methyl]-N-(quinolin-2-ylmethyl)prop-2-en-1-amine (PubChem CID 46995623) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-(quinolin-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-(quinolin-2-ylmethyl)prop-2-en-1-amine
PubChem CID46995623
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-(quinolin-2-ylmethyl)prop-2-en-1-amine
SMILESC=CCN(Cc1ccc2ccccc2n1)Cc1ccccc1OC
InChIInChI=1S/C21H22N2O/c1-3-14-23(15-18-9-5-7-11-21(18)24-2)16-19-13-12-17-8-4-6-10-20(17)22-19/h3-13H,1,14-16H2,2H3
InChIKeyVPHJUGDZJDSHRR-UHFFFAOYSA-N
XLogP4.43
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 115610796
2-[prop-2-enyl(quinolin-2-ylmethyl)amino]acetic acid
CID 79277558
N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 101381014
N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine
CID 139172571
2-(prop-2-enoxymethyl)quinoline
CID 10821856
1-phenyl-N,N-bis(quinolin-2-ylmethyl)methanamine
CID 86023570
1-[6-(chloromethyl)-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 135207665
1,3-bis[bis(quinolin-2-ylmethyl)amino]propan-2-ol
CID 86080053
2-[[6,13,20-trimethoxy-12,19-bis(quinolin-2-ylmethyl)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]methyl]quinoline
CID 102441381
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62554444
2,6-dimethoxy-4-[[(2-methylphenyl)methyl-prop-2-enylamino]methyl]phenol
CID 46993480
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid
CID 134338360

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-(quinolin-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-(quinolin-2-ylmethyl)prop-2-en-1-amine (CID 46995623) is N-[(2-methoxyphenyl)methyl]-N-(quinolin-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-(quinolin-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-(quinolin-2-ylmethyl)prop-2-en-1-amine is C=CCN(Cc1ccc2ccccc2n1)Cc1ccccc1OC.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-(quinolin-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is VPHJUGDZJDSHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-3-14-23(15-18-9-5-7-11-21(18)24-2)16-19-13-12-17-8-4-6-10-20(17)22-19/h3-13H,1,14-16H2,2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-(quinolin-2-ylmethyl)prop-2-en-1-amine?
N-[(2-methoxyphenyl)methyl]-N-(quinolin-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 318.42 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-(quinolin-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 46995623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).