3-fluoro-N-[(4-methyloxan-4-yl)methyl]propan-1-amine

C10H20FNO — CID 104586522

IUPAC3-fluoro-N-[(4-methyloxan-4-yl)methyl]propan-1-amine
SMILESCC1(CNCCCF)CCOCC1
InChIInChI=1S/C10H20FNO/c1-10(3-7-13-8-4-10)9-12-6-2-5-11/h12H,2-9H2,1H3
InChIKeyYNZBTPGJWIVWDN-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.75
Rot. Bonds5

About 3-fluoro-N-[(4-methyloxan-4-yl)methyl]propan-1-amine

3-fluoro-N-[(4-methyloxan-4-yl)methyl]propan-1-amine (PubChem CID 104586522) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 3-fluoro-N-[(4-methyloxan-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[(4-methyloxan-4-yl)methyl]propan-1-amine
PubChem CID104586522
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name3-fluoro-N-[(4-methyloxan-4-yl)methyl]propan-1-amine
SMILESCC1(CNCCCF)CCOCC1
InChIInChI=1S/C10H20FNO/c1-10(3-7-13-8-4-10)9-12-6-2-5-11/h12H,2-9H2,1H3
InChIKeyYNZBTPGJWIVWDN-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(Methoxymethyl)-4-methylpiperidine
CID 22507725
[(4-Fluorooxan-4-yl)methyl](methyl)amine hydrochloride
CID 170910132
4-(Ethoxymethyl)-4-fluoropiperidine
CID 55295888
4-Fluoro-4-(propan-2-yloxymethyl)piperidine
CID 59176312
Tert-butyl[(oxan-4-yl)methyl]amine
CID 59743283
2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine
CID 61269934
N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 66204343
1-(4-fluorooxan-4-yl)-N-methylmethanamine
CID 84731220
4-[[(2S)-2-fluoropropoxy]methyl]piperidine
CID 89688416
4-(Ethoxymethyl)-3-fluoropiperidine
CID 90165369
4-Methyl-4-(trifluoromethoxymethyl)piperidine
CID 130918611
N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine
CID 134166296

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-methyloxan-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[(4-methyloxan-4-yl)methyl]propan-1-amine (CID 104586522) is 3-fluoro-N-[(4-methyloxan-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[(4-methyloxan-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[(4-methyloxan-4-yl)methyl]propan-1-amine is CC1(CNCCCF)CCOCC1.
What is the InChIKey of 3-fluoro-N-[(4-methyloxan-4-yl)methyl]propan-1-amine?
The InChIKey is YNZBTPGJWIVWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-10(3-7-13-8-4-10)9-12-6-2-5-11/h12H,2-9H2,1H3.
What are the key properties of 3-fluoro-N-[(4-methyloxan-4-yl)methyl]propan-1-amine?
3-fluoro-N-[(4-methyloxan-4-yl)methyl]propan-1-amine has a molecular weight of 189.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-methyloxan-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 104586522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).