2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine

C18H21NO — CID 105348895

IUPAC2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine
SMILESC/C=C/c1ccccc1OCc1ccc(CCN)cc1
InChIInChI=1S/C18H21NO/c1-2-5-17-6-3-4-7-18(17)20-14-16-10-8-15(9-11-16)12-13-19/h2-11H,12-14,19H2,1H3/b5-2+
InChIKeyCTGVSMSKZNLKBU-GORDUTHDSA-N
MW267.37 g/mol
LogP3.80
Rot. Bonds6

About 2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine

2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine (PubChem CID 105348895) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine
PubChem CID105348895
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine
SMILESC/C=C/c1ccccc1OCc1ccc(CCN)cc1
InChIInChI=1S/C18H21NO/c1-2-5-17-6-3-4-7-18(17)20-14-16-10-8-15(9-11-16)12-13-19/h2-11H,12-14,19H2,1H3/b5-2+
InChIKeyCTGVSMSKZNLKBU-GORDUTHDSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]methanamine
CID 102772276
[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methanamine
CID 76938461
benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate
CID 89249565
1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine
CID 76943625
5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid
CID 659897
1-[(E)-3-methoxyprop-1-enyl]-2-phenylmethoxybenzene
CID 141153836
(E)-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enenitrile
CID 6185484
2-(2-prop-1-enylphenoxy)propan-1-amine
CID 76943563
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986660
bromomethane;N-[2-phenylmethoxy-6-[(Z)-prop-1-enyl]phenyl]formamide
CID 164875324

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine (CID 105348895) is 2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine is C/C=C/c1ccccc1OCc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine?
The InChIKey is CTGVSMSKZNLKBU-GORDUTHDSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-5-17-6-3-4-7-18(17)20-14-16-10-8-15(9-11-16)12-13-19/h2-11H,12-14,19H2,1H3/b5-2+.
What are the key properties of 2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine?
2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine is sourced from PubChem (CID 105348895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).