N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine

C15H19ClFNO — CID 102647383

IUPACN-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H19ClFNO/c1-2-8-18-15(14-5-3-4-9-19-14)12-7-6-11(17)10-13(12)16/h5-7,10,15,18H,2-4,8-9H2,1H3
InChIKeyJMHSYXTYJZNNHG-UHFFFAOYSA-N
MW283.77 g/mol
LogP4.21
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine

N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine (PubChem CID 102647383) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
PubChem CID102647383
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H19ClFNO/c1-2-8-18-15(14-5-3-4-9-19-14)12-7-6-11(17)10-13(12)16/h5-7,10,15,18H,2-4,8-9H2,1H3
InChIKeyJMHSYXTYJZNNHG-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647382
[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102649953
N-[3,4-dihydro-2H-pyran-6-yl-(3-fluorophenyl)methyl]propan-1-amine
CID 102647099
N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 102649130
N-[(3,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647282
N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 102647915
N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653631
N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716
N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495680
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63419671
N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine
CID 102649008
N-[(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496133

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine (CID 102647383) is N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The InChIKey is JMHSYXTYJZNNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-2-8-18-15(14-5-3-4-9-19-14)12-7-6-11(17)10-13(12)16/h5-7,10,15,18H,2-4,8-9H2,1H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine has a molecular weight of 283.77 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 102647383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).