2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine

C16H16Cl2FN — CID 63496881

IUPAC2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(F)c1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2FN/c17-15-5-2-6-16(18)14(15)9-12(10-20)7-11-3-1-4-13(19)8-11/h1-6,8,12H,7,9-10,20H2
InChIKeyGJJIOJMXVCKLJW-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.49
Rot. Bonds5

About 2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine

2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine (PubChem CID 63496881) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
PubChem CID63496881
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(F)c1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2FN/c17-15-5-2-6-16(18)14(15)9-12(10-20)7-11-3-1-4-13(19)8-11/h1-6,8,12H,7,9-10,20H2
InChIKeyGJJIOJMXVCKLJW-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
2-[(5-chlorothiophen-2-yl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529799
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 61079265
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62528800
2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529396
2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62530589
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62530380
2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
CID 63496703
[1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105286398
2-[(3-fluorophenyl)methyl]octan-1-amine
CID 62529193
2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112643958
1,3-dichloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]benzene
CID 66049437

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine (CID 63496881) is 2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine is NCC(Cc1cccc(F)c1)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine?
The InChIKey is GJJIOJMXVCKLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c17-15-5-2-6-16(18)14(15)9-12(10-20)7-11-3-1-4-13(19)8-11/h1-6,8,12H,7,9-10,20H2.
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine?
2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine has a molecular weight of 312.22 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 63496881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).