N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine

C16H15Cl2F2N — CID 43497673

IUPACN-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)ccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C16H15Cl2F2N/c1-2-8-21-16(11-9-10(17)6-7-12(11)18)15-13(19)4-3-5-14(15)20/h3-7,9,16,21H,2,8H2,1H3
InChIKeyXFVSGVUDQBSKAK-UHFFFAOYSA-N
MW330.21 g/mol
LogP5.36
Rot. Bonds5

About N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine

N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine (PubChem CID 43497673) has the molecular formula C16H15Cl2F2N and a molecular weight of 330.21 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
PubChem CID43497673
Molecular FormulaC16H15Cl2F2N
Molecular Weight330.21 g/mol
Exact Mass329.05
IUPAC NameN-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)ccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C16H15Cl2F2N/c1-2-8-21-16(11-9-10(17)6-7-12(11)18)15-13(19)4-3-5-14(15)20/h3-7,9,16,21H,2,8H2,1H3
InChIKeyXFVSGVUDQBSKAK-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.21
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-6-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 114558967
N-[(2-chloro-3-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 81453210
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
N-[(2-bromo-6-fluorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105395585
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693
N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 115859906
N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859932
N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268303
N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105397127
N-[(2-bromo-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497695
N-[(3-chloro-4-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 105149426

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine (CID 43497673) is N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine is CCCNC(c1cc(Cl)ccc1Cl)c1c(F)cccc1F.
What is the InChIKey of N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine?
The InChIKey is XFVSGVUDQBSKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F2N/c1-2-8-21-16(11-9-10(17)6-7-12(11)18)15-13(19)4-3-5-14(15)20/h3-7,9,16,21H,2,8H2,1H3.
What are the key properties of N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine?
N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine has a molecular weight of 330.21 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43497673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).