N-(3-fluoropropyl)-2-methoxy-2-methylpropan-1-amine

C8H18FNO — CID 104760581

IUPACN-(3-fluoropropyl)-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNCCCF
InChIInChI=1S/C8H18FNO/c1-8(2,11-3)7-10-6-4-5-9/h10H,4-7H2,1-3H3
InChIKeyKFSKWIWUKGWQJZ-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.36
Rot. Bonds6

About N-(3-fluoropropyl)-2-methoxy-2-methylpropan-1-amine

N-(3-fluoropropyl)-2-methoxy-2-methylpropan-1-amine (PubChem CID 104760581) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is N-(3-fluoropropyl)-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-2-methoxy-2-methylpropan-1-amine
PubChem CID104760581
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC NameN-(3-fluoropropyl)-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNCCCF
InChIInChI=1S/C8H18FNO/c1-8(2,11-3)7-10-6-4-5-9/h10H,4-7H2,1-3H3
InChIKeyKFSKWIWUKGWQJZ-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.36
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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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-(3-fluoropropyl)-2-methoxy-2-methylpropan-1-amine (CID 104760581) is N-(3-fluoropropyl)-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-(3-fluoropropyl)-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-(3-fluoropropyl)-2-methoxy-2-methylpropan-1-amine is COC(C)(C)CNCCCF.
What is the InChIKey of N-(3-fluoropropyl)-2-methoxy-2-methylpropan-1-amine?
The InChIKey is KFSKWIWUKGWQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO/c1-8(2,11-3)7-10-6-4-5-9/h10H,4-7H2,1-3H3.
What are the key properties of N-(3-fluoropropyl)-2-methoxy-2-methylpropan-1-amine?
N-(3-fluoropropyl)-2-methoxy-2-methylpropan-1-amine has a molecular weight of 163.24 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 104760581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).