1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine

C18H21ClFN — CID 105373667

IUPAC1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
SMILESCCNC(Cc1cccc(Cl)c1)Cc1cc(F)ccc1C
InChIInChI=1S/C18H21ClFN/c1-3-21-18(10-14-5-4-6-16(19)9-14)12-15-11-17(20)8-7-13(15)2/h4-9,11,18,21H,3,10,12H2,1-2H3
InChIKeyDHCATRUVHPVSHN-UHFFFAOYSA-N
MW305.82 g/mol
LogP4.55
Rot. Bonds6

About 1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine

1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine (PubChem CID 105373667) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
PubChem CID105373667
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
SMILESCCNC(Cc1cccc(Cl)c1)Cc1cc(F)ccc1C
InChIInChI=1S/C18H21ClFN/c1-3-21-18(10-14-5-4-6-16(19)9-14)12-15-11-17(20)8-7-13(15)2/h4-9,11,18,21H,3,10,12H2,1-2H3
InChIKeyDHCATRUVHPVSHN-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.82
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63411998
1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 103048515
1-(3-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 60817944
2-(3-chlorophenyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 63412552
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352
2-[(3-chlorophenyl)methyl]-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375957
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 103039913
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 105394689
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 107884603
N-ethyl-1-(5-fluoro-2-methylphenyl)hexan-2-amine
CID 105374122
1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 61392785

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine (CID 105373667) is 1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine is CCNC(Cc1cccc(Cl)c1)Cc1cc(F)ccc1C.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine?
The InChIKey is DHCATRUVHPVSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-3-21-18(10-14-5-4-6-16(19)9-14)12-15-11-17(20)8-7-13(15)2/h4-9,11,18,21H,3,10,12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine?
1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine has a molecular weight of 305.82 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine is sourced from PubChem (CID 105373667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).