2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine

C18H21ClFN — CID 115984184

IUPAC2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1ccccc1)Cc1cccc(F)c1Cl
InChIInChI=1S/C18H21ClFN/c1-2-21-13-15(11-14-7-4-3-5-8-14)12-16-9-6-10-17(20)18(16)19/h3-10,15,21H,2,11-13H2,1H3
InChIKeyXJCGWQWFQISDAF-UHFFFAOYSA-N
MW305.82 g/mol
LogP4.49
Rot. Bonds7

About 2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine

2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine (PubChem CID 115984184) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
PubChem CID115984184
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1ccccc1)Cc1cccc(F)c1Cl
InChIInChI=1S/C18H21ClFN/c1-2-21-13-15(11-14-7-4-3-5-8-14)12-16-9-6-10-17(20)18(16)19/h3-10,15,21H,2,11-13H2,1H3
InChIKeyXJCGWQWFQISDAF-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.82
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 63496180
2-[(2-chloro-3-fluorophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 115984189
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
CID 65489511
2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine
CID 63521196
2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine
CID 107309633
2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63522301
2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63523316
2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 112654146
N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine
CID 79438873
2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 103984391
2-[(2,3-dichlorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 107309635
2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 115984177

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine (CID 115984184) is 2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine is CCNCC(Cc1ccccc1)Cc1cccc(F)c1Cl.
What is the InChIKey of 2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine?
The InChIKey is XJCGWQWFQISDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-2-21-13-15(11-14-7-4-3-5-8-14)12-16-9-6-10-17(20)18(16)19/h3-10,15,21H,2,11-13H2,1H3.
What are the key properties of 2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine?
2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine has a molecular weight of 305.82 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 115984184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).