N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine

C19H23NO — CID 76943625

IUPACN-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine
SMILESCC=Cc1ccccc1OCc1cccc(CNCC)c1
InChIInChI=1S/C19H23NO/c1-3-8-18-11-5-6-12-19(18)21-15-17-10-7-9-16(13-17)14-20-4-2/h3,5-13,20H,4,14-15H2,1-2H3
InChIKeyYPOUXNZBUYTBEZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.41
Rot. Bonds7

About N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine

N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine (PubChem CID 76943625) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine
PubChem CID76943625
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine
SMILESCC=Cc1ccccc1OCc1cccc(CNCC)c1
InChIInChI=1S/C19H23NO/c1-3-8-18-11-5-6-12-19(18)21-15-17-10-7-9-16(13-17)14-20-4-2/h3,5-13,20H,4,14-15H2,1-2H3
InChIKeyYPOUXNZBUYTBEZ-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452902
N-[[2-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 76943591
N-[[3-[(2-bromo-4-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62460175
N-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62449938
2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine
CID 105348895
N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 76938437
N-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 43278774
N-[[3-[(3-methoxyphenoxy)methyl]phenyl]methyl]ethanamine
CID 62453859
bromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]formamide
CID 164875324
N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine
CID 62485606
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499398
4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide
CID 19484731

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine (CID 76943625) is N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine is CC=Cc1ccccc1OCc1cccc(CNCC)c1.
What is the InChIKey of N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine?
The InChIKey is YPOUXNZBUYTBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-8-18-11-5-6-12-19(18)21-15-17-10-7-9-16(13-17)14-20-4-2/h3,5-13,20H,4,14-15H2,1-2H3.
What are the key properties of N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine?
N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 76943625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).