1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine

C15H21ClFNO — CID 114856904

IUPAC1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1F)CC1CCOC1
InChIInChI=1S/C15H21ClFNO/c1-2-18-14(7-11-5-6-19-10-11)8-12-3-4-13(16)9-15(12)17/h3-4,9,11,14,18H,2,5-8,10H2,1H3
InChIKeySUYXDOBLVCHXGZ-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.43
Rot. Bonds6

About 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine

1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine (PubChem CID 114856904) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
PubChem CID114856904
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1F)CC1CCOC1
InChIInChI=1S/C15H21ClFNO/c1-2-18-14(7-11-5-6-19-10-11)8-12-3-4-13(16)9-15(12)17/h3-4,9,11,14,18H,2,5-8,10H2,1H3
InChIKeySUYXDOBLVCHXGZ-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-(oxolan-3-yl)propan-2-amine
CID 114856901
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 103987220
N-ethyl-1-(oxolan-3-yl)-3-phenylpropan-2-amine
CID 103987146
1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 62601125
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105055271
1-(2,3-difluorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 115846974
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 114855387
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 114855538
1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987271
N-ethyl-1-(furan-2-yl)-3-(oxolan-3-yl)propan-2-amine
CID 103987352
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 114855390
N-[(4-chloro-2-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 63936493

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine (CID 114856904) is 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine is CCNC(Cc1ccc(Cl)cc1F)CC1CCOC1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine?
The InChIKey is SUYXDOBLVCHXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-2-18-14(7-11-5-6-19-10-11)8-12-3-4-13(16)9-15(12)17/h3-4,9,11,14,18H,2,5-8,10H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine?
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine has a molecular weight of 285.79 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine is sourced from PubChem (CID 114856904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).