2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine

C18H21ClFN — CID 63521196

IUPAC2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1cccc(F)c1)Cc1ccccc1Cl
InChIInChI=1S/C18H21ClFN/c1-2-21-13-15(10-14-6-5-8-17(20)12-14)11-16-7-3-4-9-18(16)19/h3-9,12,15,21H,2,10-11,13H2,1H3
InChIKeyUUPUZVACAQQPIE-UHFFFAOYSA-N
MW305.82 g/mol
LogP4.49
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine

2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine (PubChem CID 63521196) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine
PubChem CID63521196
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1cccc(F)c1)Cc1ccccc1Cl
InChIInChI=1S/C18H21ClFN/c1-2-21-13-15(10-14-6-5-8-17(20)12-14)11-16-7-3-4-9-18(16)19/h3-9,12,15,21H,2,10-11,13H2,1H3
InChIKeyUUPUZVACAQQPIE-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-[(3-chloro-2-fluorophenyl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 102858686
2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
CID 115984184
2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63523316
2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine
CID 103984333
2-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 62515283
N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052991
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
N-ethyl-2-[(3-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456673
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine
CID 63523561
2-[(2-chlorophenyl)methyl]-3-(4-fluoro-2-methylphenyl)-N-methylpropan-1-amine
CID 114348813
N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide
CID 42961637
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 61063993

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine (CID 63521196) is 2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine is CCNCC(Cc1cccc(F)c1)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine?
The InChIKey is UUPUZVACAQQPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-2-21-13-15(10-14-6-5-8-17(20)12-14)11-16-7-3-4-9-18(16)19/h3-9,12,15,21H,2,10-11,13H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine?
2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-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-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 63521196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).