(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine

C16H15F2NO — CID 114745341

IUPAC(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESNC(c1cc(F)ccc1F)c1cccc2c1OCCC2
InChIInChI=1S/C16H15F2NO/c17-11-6-7-14(18)13(9-11)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h1,3,5-7,9,15H,2,4,8,19H2
InChIKeyWBMGVJVTGFEBSP-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.34
Rot. Bonds2

About (2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine

(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine (PubChem CID 114745341) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
PubChem CID114745341
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESNC(c1cc(F)ccc1F)c1cccc2c1OCCC2
InChIInChI=1S/C16H15F2NO/c17-11-6-7-14(18)13(9-11)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h1,3,5-7,9,15H,2,4,8,19H2
InChIKeyWBMGVJVTGFEBSP-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine
CID 114745984
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107995512
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107969236
3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methanamine
CID 114744922
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309
1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049062
2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine
CID 114745149
(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114744841
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine
CID 105053341
(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187279
(3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745822

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The IUPAC name of (2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine (CID 114745341) is (2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine.
What is the SMILES notation for (2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The canonical SMILES for (2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine is NC(c1cc(F)ccc1F)c1cccc2c1OCCC2.
What is the InChIKey of (2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The InChIKey is WBMGVJVTGFEBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-11-6-7-14(18)13(9-11)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h1,3,5-7,9,15H,2,4,8,19H2.
What are the key properties of (2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine has a molecular weight of 275.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine is sourced from PubChem (CID 114745341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).