N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine

C16H23ClFNO — CID 102866337

IUPACN-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1F)C1CCCCO1
InChIInChI=1S/C16H23ClFNO/c1-2-9-19-14(15-8-3-4-10-20-15)11-12-6-5-7-13(17)16(12)18/h5-7,14-15,19H,2-4,8-11H2,1H3
InChIKeySFZXQYWHRUOQBW-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.96
Rot. Bonds6

About N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine

N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine (PubChem CID 102866337) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
PubChem CID102866337
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC NameN-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1F)C1CCCCO1
InChIInChI=1S/C16H23ClFNO/c1-2-9-19-14(15-8-3-4-10-20-15)11-12-6-5-7-13(17)16(12)18/h5-7,14-15,19H,2-4,8-11H2,1H3
InChIKeySFZXQYWHRUOQBW-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chloro-3-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105032641
N-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105035660
N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843397
N-[2-(2-bromo-4-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843320
N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
CID 61065088
1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115794372
N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034736
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 105035624
N-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 115983887
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 106866575
[2-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine
CID 102868515
N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328369

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine (CID 102866337) is N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1F)C1CCCCO1.
What is the InChIKey of N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine?
The InChIKey is SFZXQYWHRUOQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-2-9-19-14(15-8-3-4-10-20-15)11-12-6-5-7-13(17)16(12)18/h5-7,14-15,19H,2-4,8-11H2,1H3.
What are the key properties of N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine?
N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine has a molecular weight of 299.82 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102866337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).