1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine

C17H27ClFNO — CID 116718291

IUPAC1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)C(CCC)OCC
InChIInChI=1S/C17H27ClFNO/c1-4-8-17(21-6-3)16(20-11-5-2)12-13-14(18)9-7-10-15(13)19/h7,9-10,16-17,20H,4-6,8,11-12H2,1-3H3
InChIKeyQHPHZSZESWWTHR-UHFFFAOYSA-N
MW315.86 g/mol
LogP4.59
Rot. Bonds10

About 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine

1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine (PubChem CID 116718291) has the molecular formula C17H27ClFNO and a molecular weight of 315.86 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine
PubChem CID116718291
Molecular FormulaC17H27ClFNO
Molecular Weight315.86 g/mol
Exact Mass315.18
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)C(CCC)OCC
InChIInChI=1S/C17H27ClFNO/c1-4-8-17(21-6-3)16(20-11-5-2)12-13-14(18)9-7-10-15(13)19/h7,9-10,16-17,20H,4-6,8,11-12H2,1-3H3
InChIKeyQHPHZSZESWWTHR-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.86
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 114932646
1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
CID 116717748
1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718406
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
CID 82987218
1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718299
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
CID 106868796
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131448
1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 55145614
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 43494761
1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 61495709
1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 63419898
1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63022141

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine (CID 116718291) is 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine is CCCNC(Cc1c(F)cccc1Cl)C(CCC)OCC.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine?
The InChIKey is QHPHZSZESWWTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClFNO/c1-4-8-17(21-6-3)16(20-11-5-2)12-13-14(18)9-7-10-15(13)19/h7,9-10,16-17,20H,4-6,8,11-12H2,1-3H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine?
1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine has a molecular weight of 315.86 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine is sourced from PubChem (CID 116718291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).