N-[(4-ethyl-2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]prop-2-en-1-amine

C16H24FNO — CID 89153376

IUPACN-[(4-ethyl-2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]prop-2-en-1-amine
SMILESC=C(CNCc1ccc(CC)cc1F)OC(C)(C)C
InChIInChI=1S/C16H24FNO/c1-6-13-7-8-14(15(17)9-13)11-18-10-12(2)19-16(3,4)5/h7-9,18H,2,6,10-11H2,1,3-5H3
InChIKeyKXRGUHGFBRZPOH-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.81
Rot. Bonds6

About N-[(4-ethyl-2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]prop-2-en-1-amine

N-[(4-ethyl-2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]prop-2-en-1-amine (PubChem CID 89153376) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[(4-ethyl-2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(4-ethyl-2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]prop-2-en-1-amine
PubChem CID89153376
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[(4-ethyl-2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]prop-2-en-1-amine
SMILESC=C(CNCc1ccc(CC)cc1F)OC(C)(C)C
InChIInChI=1S/C16H24FNO/c1-6-13-7-8-14(15(17)9-13)11-18-10-12(2)19-16(3,4)5/h7-9,18H,2,6,10-11H2,1,3-5H3
InChIKeyKXRGUHGFBRZPOH-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-[(4-ethyl-2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[(4-ethyl-2-fluorophenyl)methylamino]-2-phenylacetate
CID 71192085
tert-butyl N-[[2-fluoro-4-(3-oxopropyl)phenyl]methyl]carbamate
CID 59988320
tert-butyl N-[[4-[3-(2-aminoethylamino)propyl]-2-fluorophenyl]methyl]carbamate
CID 142209831
1-(bromomethyl)-4-ethyl-2-fluorobenzene
CID 91883092
[3-fluoro-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl methanesulfonate
CID 146597984
tert-butyl N-[3-[(2,4-difluorophenyl)methylamino]propyl]carbamate
CID 78942148
tert-butyl 2-[(3-bromo-4-fluorophenyl)methylamino]acetate
CID 78994243
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
tert-butyl N-[(2-fluoro-4-methylphenyl)methyl]carbamate
CID 158865202
tert-butyl 3-[(2,4,5-trifluorophenyl)methylamino]propanoate
CID 91127597
4-O-tert-butyl 1-O-[(4-ethyl-2-fluorophenyl)methyl] 2,6-dimethylpiperazine-1,4-dicarboxylate
CID 69142572
4-O-tert-butyl 1-O-[(4-ethyl-2-fluorophenyl)methyl] (2S,6R)-2,6-dimethylpiperazine-1,4-dicarboxylate
CID 69142570

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]prop-2-en-1-amine?
The IUPAC name of N-[(4-ethyl-2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]prop-2-en-1-amine (CID 89153376) is N-[(4-ethyl-2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]prop-2-en-1-amine.
What is the SMILES notation for N-[(4-ethyl-2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]prop-2-en-1-amine?
The canonical SMILES for N-[(4-ethyl-2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]prop-2-en-1-amine is C=C(CNCc1ccc(CC)cc1F)OC(C)(C)C.
What is the InChIKey of N-[(4-ethyl-2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]prop-2-en-1-amine?
The InChIKey is KXRGUHGFBRZPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-6-13-7-8-14(15(17)9-13)11-18-10-12(2)19-16(3,4)5/h7-9,18H,2,6,10-11H2,1,3-5H3.
What are the key properties of N-[(4-ethyl-2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]prop-2-en-1-amine?
N-[(4-ethyl-2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]prop-2-en-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]prop-2-en-1-amine is sourced from PubChem (CID 89153376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).