N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine

C16H16Cl2FN — CID 63462744

IUPACN-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2FN/c1-11(9-12-5-7-14(19)8-6-12)20-10-13-3-2-4-15(17)16(13)18/h2-8,11,20H,9-10H2,1H3
InChIKeyDIBLUNHZFYCYKO-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.85
Rot. Bonds5

About N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine

N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine (PubChem CID 63462744) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
PubChem CID63462744
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2FN/c1-11(9-12-5-7-14(19)8-6-12)20-10-13-3-2-4-15(17)16(13)18/h2-8,11,20H,9-10H2,1H3
InChIKeyDIBLUNHZFYCYKO-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 115982845
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 43677587
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 106862630
1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 107859555
4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol
CID 43746669
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
1,2-dichloro-3-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]benzene
CID 107310776
N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43080559
N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine
CID 62733353
N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956826
1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine
CID 60958104
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine (CID 63462744) is N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine is CC(Cc1ccc(F)cc1)NCc1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is DIBLUNHZFYCYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-11(9-12-5-7-14(19)8-6-12)20-10-13-3-2-4-15(17)16(13)18/h2-8,11,20H,9-10H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 312.22 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 63462744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).