2-cyclopropyl-2-fluoro-2-(oxan-4-yl)ethanamine

C10H18FNO — CID 112567126

IUPAC2-cyclopropyl-2-fluoro-2-(oxan-4-yl)ethanamine
SMILESNCC(F)(C1CCOCC1)C1CC1
InChIInChI=1S/C10H18FNO/c11-10(7-12,8-1-2-8)9-3-5-13-6-4-9/h8-9H,1-7,12H2
InChIKeyYZDSZHBZAKBBMY-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.49
Rot. Bonds3

About 2-cyclopropyl-2-fluoro-2-(oxan-4-yl)ethanamine

2-cyclopropyl-2-fluoro-2-(oxan-4-yl)ethanamine (PubChem CID 112567126) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-2-(oxan-4-yl)ethanamine
PubChem CID112567126
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name2-cyclopropyl-2-fluoro-2-(oxan-4-yl)ethanamine
SMILESNCC(F)(C1CCOCC1)C1CC1
InChIInChI=1S/C10H18FNO/c11-10(7-12,8-1-2-8)9-3-5-13-6-4-9/h8-9H,1-7,12H2
InChIKeyYZDSZHBZAKBBMY-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Oxan-4-yl)cyclopropyl]methanamine
CID 59234193
1-(4-(Cyclopropylmethyl)oxan-4-yl)methanamine
CID 82412650
rac-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine hydrochloride
CID 126836806
2-Cyclopropyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83148355
rac-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine
CID 94558177
3-Fluoro-4-(oxan-4-yl)butan-1-amine
CID 104277132
2-Fluoro-2-(oxan-3-yl)propan-1-amine
CID 105431664
3-Fluoro-3-(oxan-3-yl)propan-1-amine
CID 105431673
2-Fluoro-3-(oxan-3-yl)propan-1-amine
CID 105431675
3-Fluoro-3-(oxan-3-yl)butan-1-amine
CID 105436233
2-Fluoro-2-methyl-3-(oxan-3-yl)propan-1-amine
CID 105436238
2,2-Difluoro-3-(oxan-3-yl)propan-1-amine
CID 105437937

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-2-(oxan-4-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-2-fluoro-2-(oxan-4-yl)ethanamine (CID 112567126) is 2-cyclopropyl-2-fluoro-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-2-(oxan-4-yl)ethanamine is NCC(F)(C1CCOCC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-2-(oxan-4-yl)ethanamine?
The InChIKey is YZDSZHBZAKBBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c11-10(7-12,8-1-2-8)9-3-5-13-6-4-9/h8-9H,1-7,12H2.
What are the key properties of 2-cyclopropyl-2-fluoro-2-(oxan-4-yl)ethanamine?
2-cyclopropyl-2-fluoro-2-(oxan-4-yl)ethanamine has a molecular weight of 187.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 112567126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).