N-ethyl-N-[(2R)-2-fluoropropyl]-2-methylpropan-1-amine

C9H20FN — CID 166137382

IUPACN-ethyl-N-[(2R)-2-fluoropropyl]-2-methylpropan-1-amine
SMILESCCN(CC(C)C)C[C@@H](C)F
InChIInChI=1S/C9H20FN/c1-5-11(6-8(2)3)7-9(4)10/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyISFUFJKBENCVEE-SECBINFHSA-N
MW161.26 g/mol
LogP2.32
Rot. Bonds5

About N-ethyl-N-[(2R)-2-fluoropropyl]-2-methylpropan-1-amine

N-ethyl-N-[(2R)-2-fluoropropyl]-2-methylpropan-1-amine (PubChem CID 166137382) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is N-ethyl-N-[(2R)-2-fluoropropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[(2R)-2-fluoropropyl]-2-methylpropan-1-amine
PubChem CID166137382
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC NameN-ethyl-N-[(2R)-2-fluoropropyl]-2-methylpropan-1-amine
SMILESCCN(CC(C)C)C[C@@H](C)F
InChIInChI=1S/C9H20FN/c1-5-11(6-8(2)3)7-9(4)10/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyISFUFJKBENCVEE-SECBINFHSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2R)-2-fluoropropyl]-2-methylpropan-1-amine?
The IUPAC name of N-ethyl-N-[(2R)-2-fluoropropyl]-2-methylpropan-1-amine (CID 166137382) is N-ethyl-N-[(2R)-2-fluoropropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-N-[(2R)-2-fluoropropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-ethyl-N-[(2R)-2-fluoropropyl]-2-methylpropan-1-amine is CCN(CC(C)C)C[C@@H](C)F.
What is the InChIKey of N-ethyl-N-[(2R)-2-fluoropropyl]-2-methylpropan-1-amine?
The InChIKey is ISFUFJKBENCVEE-SECBINFHSA-N. The full InChI is InChI=1S/C9H20FN/c1-5-11(6-8(2)3)7-9(4)10/h8-9H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of N-ethyl-N-[(2R)-2-fluoropropyl]-2-methylpropan-1-amine?
N-ethyl-N-[(2R)-2-fluoropropyl]-2-methylpropan-1-amine has a molecular weight of 161.26 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2R)-2-fluoropropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 166137382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).