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

C16H14ClF2NO — CID 166045392

IUPAC(3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
SMILESNC(c1ccc(F)c(Cl)c1F)C1COc2ccccc2C1
InChIInChI=1S/C16H14ClF2NO/c17-14-12(18)6-5-11(15(14)19)16(20)10-7-9-3-1-2-4-13(9)21-8-10/h1-6,10,16H,7-8,20H2
InChIKeyCHORYTQYBYCCNW-UHFFFAOYSA-N
MW309.74 g/mol
LogP3.87
Rot. Bonds2

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

(3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine (PubChem CID 166045392) has the molecular formula C16H14ClF2NO and a molecular weight of 309.74 g/mol. Its IUPAC name is (3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
PubChem CID166045392
Molecular FormulaC16H14ClF2NO
Molecular Weight309.74 g/mol
Exact Mass309.07
IUPAC Name(3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
SMILESNC(c1ccc(F)c(Cl)c1F)C1COc2ccccc2C1
InChIInChI=1S/C16H14ClF2NO/c17-14-12(18)6-5-11(15(14)19)16(20)10-7-9-3-1-2-4-13(9)21-8-10/h1-6,10,16H,7-8,20H2
InChIKeyCHORYTQYBYCCNW-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol
CID 65411549
(3-chlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 65411666
2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 65410711
2-[(S)-(3-chloro-2,4-difluorophenyl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 166045409
(4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 79601515
3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine
CID 65411860
[(2,5-dichlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
CID 105233991
3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine
CID 65411469
1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65411667
[(2,6-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
CID 105233931
(2,3-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 65410517
1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine
CID 65409515

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine?
The IUPAC name of (3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine (CID 166045392) is (3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine.
What is the SMILES notation for (3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine?
The canonical SMILES for (3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine is NC(c1ccc(F)c(Cl)c1F)C1COc2ccccc2C1.
What is the InChIKey of (3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine?
The InChIKey is CHORYTQYBYCCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO/c17-14-12(18)6-5-11(15(14)19)16(20)10-7-9-3-1-2-4-13(9)21-8-10/h1-6,10,16H,7-8,20H2.
What are the key properties of (3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine?
(3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine has a molecular weight of 309.74 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine is sourced from PubChem (CID 166045392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).