N-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine

C17H26FNO2 — CID 105035660

IUPACN-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(OC)c1F)C1CCCCO1
InChIInChI=1S/C17H26FNO2/c1-3-10-19-14(15-8-4-5-11-21-15)12-13-7-6-9-16(20-2)17(13)18/h6-7,9,14-15,19H,3-5,8,10-12H2,1-2H3
InChIKeyKEWCQPRFNZXMRM-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.31
Rot. Bonds7

About N-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine

N-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine (PubChem CID 105035660) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
PubChem CID105035660
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC NameN-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(OC)c1F)C1CCCCO1
InChIInChI=1S/C17H26FNO2/c1-3-10-19-14(15-8-4-5-11-21-15)12-13-7-6-9-16(20-2)17(13)18/h6-7,9,14-15,19H,3-5,8,10-12H2,1-2H3
InChIKeyKEWCQPRFNZXMRM-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 105035624
N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 102866337
N-[2-(2-chloro-3-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105032641
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
1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
CID 104794123
1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine
CID 105035512
2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115809974
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 104794033
N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034736
5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 104795127

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine (CID 105035660) is N-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(OC)c1F)C1CCCCO1.
What is the InChIKey of N-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine?
The InChIKey is KEWCQPRFNZXMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-3-10-19-14(15-8-4-5-11-21-15)12-13-7-6-9-16(20-2)17(13)18/h6-7,9,14-15,19H,3-5,8,10-12H2,1-2H3.
What are the key properties of N-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine?
N-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine has a molecular weight of 295.40 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-3-methoxyphenyl)-1-(oxan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105035660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).