N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine

C15H15ClFN — CID 43489085

IUPACN-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H15ClFN/c1-2-18-15(11-6-4-3-5-7-11)13-10-12(16)8-9-14(13)17/h3-10,15,18H,2H2,1H3
InChIKeyGPSGZSZOTDYUPE-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.18
Rot. Bonds4

About N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine

N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine (PubChem CID 43489085) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
PubChem CID43489085
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC NameN-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H15ClFN/c1-2-18-15(11-6-4-3-5-7-11)13-10-12(16)8-9-14(13)17/h3-10,15,18H,2H2,1H3
InChIKeyGPSGZSZOTDYUPE-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine
CID 43494881
N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490220
N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182
N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43490212
N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine
CID 115484059
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250
N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 63502767
N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82870566
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 82884123
N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine
CID 43489055

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine (CID 43489085) is N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1cc(Cl)ccc1F.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine?
The InChIKey is GPSGZSZOTDYUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-2-18-15(11-6-4-3-5-7-11)13-10-12(16)8-9-14(13)17/h3-10,15,18H,2H2,1H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine?
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine has a molecular weight of 263.74 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine is sourced from PubChem (CID 43489085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).