3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine

C14H19ClFNO — CID 103040498

IUPAC3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine
SMILESCCOC(C(N)Cc1ccc(F)c(Cl)c1)C1CC1
InChIInChI=1S/C14H19ClFNO/c1-2-18-14(10-4-5-10)13(17)8-9-3-6-12(16)11(15)7-9/h3,6-7,10,13-14H,2,4-5,8,17H2,1H3
InChIKeyANJKHBIGEHDBBK-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.16
Rot. Bonds6

About 3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine

3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine (PubChem CID 103040498) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine
PubChem CID103040498
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine
SMILESCCOC(C(N)Cc1ccc(F)c(Cl)c1)C1CC1
InChIInChI=1S/C14H19ClFNO/c1-2-18-14(10-4-5-10)13(17)8-9-3-6-12(16)11(15)7-9/h3,6-7,10,13-14H,2,4-5,8,17H2,1H3
InChIKeyANJKHBIGEHDBBK-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116772018
1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine
CID 114932668
3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116772044
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 107885188
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723664
2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 103039934
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
3-(4-chlorophenyl)-1,1-diethoxypropan-2-amine
CID 79496455
[3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine
CID 103044125
3-(3-chloro-4-fluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine
CID 103040261
1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine
CID 103042970

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine (CID 103040498) is 3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine is CCOC(C(N)Cc1ccc(F)c(Cl)c1)C1CC1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine?
The InChIKey is ANJKHBIGEHDBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-2-18-14(10-4-5-10)13(17)8-9-3-6-12(16)11(15)7-9/h3,6-7,10,13-14H,2,4-5,8,17H2,1H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine?
3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine has a molecular weight of 271.76 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine is sourced from PubChem (CID 103040498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).