1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine

C16H26FNO — CID 104794123

IUPAC1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
SMILESCCCCC(Cc1cccc(OC)c1F)NCCC
InChIInChI=1S/C16H26FNO/c1-4-6-9-14(18-11-5-2)12-13-8-7-10-15(19-3)16(13)17/h7-8,10,14,18H,4-6,9,11-12H2,1-3H3
InChIKeySQKLBSCRRUENHP-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.94
Rot. Bonds9

About 1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine

1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine (PubChem CID 104794123) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
PubChem CID104794123
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
SMILESCCCCC(Cc1cccc(OC)c1F)NCCC
InChIInChI=1S/C16H26FNO/c1-4-6-9-14(18-11-5-2)12-13-8-7-10-15(19-3)16(13)17/h7-8,10,14,18H,4-6,9,11-12H2,1-3H3
InChIKeySQKLBSCRRUENHP-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine
CID 104793861
1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
CID 105180625
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 104793996
4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine
CID 104793850
5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 104795127
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine
CID 104793912
N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine
CID 113453549
1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
CID 82811862
1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine
CID 115826522
1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
CID 105377481
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-2-amine
CID 105180616
4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 103150052

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine (CID 104794123) is 1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine is CCCCC(Cc1cccc(OC)c1F)NCCC.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine?
The InChIKey is SQKLBSCRRUENHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-4-6-9-14(18-11-5-2)12-13-8-7-10-15(19-3)16(13)17/h7-8,10,14,18H,4-6,9,11-12H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine?
1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine has a molecular weight of 267.39 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine is sourced from PubChem (CID 104794123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).