N-ethylformamide;8-fluoro-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine

C18H29FN2O2 — CID 19028244

IUPACN-ethylformamide;8-fluoro-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(C(C)C)C1COc2c(F)cccc2C1.CCNC=O
InChIInChI=1S/C15H22FNO.C3H7NO/c1-4-8-17(11(2)3)13-9-12-6-5-7-14(16)15(12)18-10-13;1-2-4-3-5/h5-7,11,13H,4,8-10H2,1-3H3;3H,2H2,1H3,(H,4,5)
InChIKeyQZUJOJOSMZYRDW-UHFFFAOYSA-N
MW324.44 g/mol
LogP3.00
Rot. Bonds6

About N-ethylformamide;8-fluoro-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine

N-ethylformamide;8-fluoro-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 19028244) has the molecular formula C18H29FN2O2 and a molecular weight of 324.44 g/mol. Its IUPAC name is N-ethylformamide;8-fluoro-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN-ethylformamide;8-fluoro-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID19028244
Molecular FormulaC18H29FN2O2
Molecular Weight324.44 g/mol
Exact Mass324.22
IUPAC NameN-ethylformamide;8-fluoro-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(C(C)C)C1COc2c(F)cccc2C1.CCNC=O
InChIInChI=1S/C15H22FNO.C3H7NO/c1-4-8-17(11(2)3)13-9-12-6-5-7-14(16)15(12)18-10-13;1-2-4-3-5/h5-7,11,13H,4,8-10H2,1-3H3;3H,2H2,1H3,(H,4,5)
InChIKeyQZUJOJOSMZYRDW-UHFFFAOYSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethylformamide;8-fluoro-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-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

Trebenzomine
CID 32142
2-Cyano-N-[(1R,2S)-2-(2-cyano-5-fluoro-phenoxy)-1-methyl-2-phenyl-ethyl]-butyramide
CID 44288325
2-Cyano-N-[(1R,2S)-2-(2-cyano-5-fluoro-phenoxy)-1-methyl-2-phenyl-ethyl]-3-methyl-butyramide
CID 44288559
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 729861
Chroman-3-yl-dipropyl-amine
CID 10105405
1-Propyl-2,3,10,10a-tetrahydro-1H-9-oxa-1-aza-phenanthrene
CID 14151683
N-{1-[2-(4-Benzyl-phenoxy)-ethyl]-piperidin-4-yl}-acetamide
CID 18678194
N-[2-(2,6-dimethylphenoxy)-1-phenylethyl]acetamide
CID 74929448
N-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]acetamide
CID 10040815
2-[[2-[3,5-Difluoro-2-(2-phenylethoxy)phenyl]cyclopropyl]amino]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 168297211
N-cyclooctyl-2-(2-methylphenoxy)acetamide
CID 814223
2-[[2-(3,5-Difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 137402720

Frequently Asked Questions

What is the IUPAC name of N-ethylformamide;8-fluoro-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N-ethylformamide;8-fluoro-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine (CID 19028244) is N-ethylformamide;8-fluoro-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N-ethylformamide;8-fluoro-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N-ethylformamide;8-fluoro-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine is CCCN(C(C)C)C1COc2c(F)cccc2C1.CCNC=O.
What is the InChIKey of N-ethylformamide;8-fluoro-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is QZUJOJOSMZYRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO.C3H7NO/c1-4-8-17(11(2)3)13-9-12-6-5-7-14(16)15(12)18-10-13;1-2-4-3-5/h5-7,11,13H,4,8-10H2,1-3H3;3H,2H2,1H3,(H,4,5).
What are the key properties of N-ethylformamide;8-fluoro-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine?
N-ethylformamide;8-fluoro-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 324.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylformamide;8-fluoro-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 19028244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).