(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine

C16H15ClFNO — CID 107995512

IUPAC(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESNC(c1ccc(Cl)c(F)c1)c1cccc2c1OCCC2
InChIInChI=1S/C16H15ClFNO/c17-13-7-6-11(9-14(13)18)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h1,3,5-7,9,15H,2,4,8,19H2
InChIKeyXIGHMSGDEQWGQC-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.85
Rot. Bonds2

About (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine

(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine (PubChem CID 107995512) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
PubChem CID107995512
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESNC(c1ccc(Cl)c(F)c1)c1cccc2c1OCCC2
InChIInChI=1S/C16H15ClFNO/c17-13-7-6-11(9-14(13)18)15(19)12-5-1-3-10-4-2-8-20-16(10)12/h1,3,5-7,9,15H,2,4,8,19H2
InChIKeyXIGHMSGDEQWGQC-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105049185
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
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
(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745341
(3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053279
3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine
CID 114744832
(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187279
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107969236
(3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745822
2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 114745649
3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine
CID 114745984

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The IUPAC name of (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine (CID 107995512) is (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine is NC(c1ccc(Cl)c(F)c1)c1cccc2c1OCCC2.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The InChIKey is XIGHMSGDEQWGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c17-13-7-6-11(9-14(13)18)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 (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine has a molecular weight of 291.75 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine is sourced from PubChem (CID 107995512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).