2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine

C18H20FNO — CID 4718833

IUPAC2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccc(CNCCc2ccccc2F)cc1
InChIInChI=1S/C18H20FNO/c1-2-13-21-17-9-7-15(8-10-17)14-20-12-11-16-5-3-4-6-18(16)19/h2-10,20H,1,11-14H2
InChIKeyBLOYYZZRFXNOJO-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.72
Rot. Bonds8

About 2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine

2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine (PubChem CID 4718833) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
PubChem CID4718833
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccc(CNCCc2ccccc2F)cc1
InChIInChI=1S/C18H20FNO/c1-2-13-21-17-9-7-15(8-10-17)14-20-12-11-16-5-3-4-6-18(16)19/h2-10,20H,1,11-14H2
InChIKeyBLOYYZZRFXNOJO-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]phenoxy]acetonitrile
CID 43221883
4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol
CID 61237649
N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 115523424
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide
CID 28651449
2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4718442
3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 131938810
N-[(4-prop-2-enoxyphenyl)methyl]hexadecan-1-amine
CID 54847664
2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4718343
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042
N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291144
(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 51526999

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine (CID 4718833) is 2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine is C=CCOc1ccc(CNCCc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
The InChIKey is BLOYYZZRFXNOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-2-13-21-17-9-7-15(8-10-17)14-20-12-11-16-5-3-4-6-18(16)19/h2-10,20H,1,11-14H2.
What are the key properties of 2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine?
2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine has a molecular weight of 285.36 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 4718833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).