1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine

C18H21ClFN — CID 105397098

IUPAC1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(C)cc1)c1cc(F)ccc1Cl
InChIInChI=1S/C18H21ClFN/c1-3-21-18(16-12-15(20)9-10-17(16)19)11-8-14-6-4-13(2)5-7-14/h4-7,9-10,12,18,21H,3,8,11H2,1-2H3
InChIKeyBGOARBWYBZPDKP-UHFFFAOYSA-N
MW305.82 g/mol
LogP5.07
Rot. Bonds6

About 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine

1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine (PubChem CID 105397098) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
PubChem CID105397098
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(C)cc1)c1cc(F)ccc1Cl
InChIInChI=1S/C18H21ClFN/c1-3-21-18(16-12-15(20)9-10-17(16)19)11-8-14-6-4-13(2)5-7-14/h4-7,9-10,12,18,21H,3,8,11H2,1-2H3
InChIKeyBGOARBWYBZPDKP-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.82
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 105394782
1-(2,4-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105143731
[1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propyl]hydrazine
CID 105398187
1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105076952
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
CID 105395115
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105397390
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105396834
1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105097119
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 105394780
N-ethyl-1-(5-fluoro-3-pyridinyl)-3-(4-methylphenyl)propan-1-amine
CID 105102454
1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 105397498
1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105106501

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine (CID 105397098) is 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine is CCNC(CCc1ccc(C)cc1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
The InChIKey is BGOARBWYBZPDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-3-21-18(16-12-15(20)9-10-17(16)19)11-8-14-6-4-13(2)5-7-14/h4-7,9-10,12,18,21H,3,8,11H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine has a molecular weight of 305.82 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 105397098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).