N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine

C18H21NO — CID 62523589

IUPACN-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine
SMILESC=CCc1ccccc1OCc1ccccc1CNC
InChIInChI=1S/C18H21NO/c1-3-8-15-9-6-7-12-18(15)20-14-17-11-5-4-10-16(17)13-19-2/h3-7,9-12,19H,1,8,13-14H2,2H3
InChIKeyJFHHJWGDUVJHTB-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.71
Rot. Bonds7

About N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine

N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine (PubChem CID 62523589) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine
PubChem CID62523589
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine
SMILESC=CCc1ccccc1OCc1ccccc1CNC
InChIInChI=1S/C18H21NO/c1-3-8-15-9-6-7-12-18(15)20-14-17-11-5-4-10-16(17)13-19-2/h3-7,9-12,19H,1,8,13-14H2,2H3
InChIKeyJFHHJWGDUVJHTB-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-[(2-prop-2-enylphenoxy)methyl]benzene
CID 91655599
N-methyl-1-[2-(prop-2-enoxymethyl)phenyl]methanamine
CID 62441319
N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine
CID 62449458
N-[[6-[(2-prop-2-enylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908299
1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene
CID 14224427
N-[[5-methyl-4-[(2-prop-2-enylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 80721945
1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine
CID 62443049
1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine
CID 123641873
N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 2184313
magnesium;1-(phenylmethoxy)-2-prop-2-enylbenzene;bromide
CID 146001543
N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine
CID 79114279
N-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine
CID 62485666

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine (CID 62523589) is N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine is C=CCc1ccccc1OCc1ccccc1CNC.
What is the InChIKey of N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine?
The InChIKey is JFHHJWGDUVJHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-8-15-9-6-7-12-18(15)20-14-17-11-5-4-10-16(17)13-19-2/h3-7,9-12,19H,1,8,13-14H2,2H3.
What are the key properties of N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine?
N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine has a molecular weight of 267.37 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 62523589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).