N-ethyl-N-[(2-fluorophenyl)methyl]propan-2-amine

C12H18FN — CID 23559569

IUPACN-ethyl-N-[(2-fluorophenyl)methyl]propan-2-amine
SMILESCCN(Cc1ccccc1F)C(C)C
InChIInChI=1S/C12H18FN/c1-4-14(10(2)3)9-11-7-5-6-8-12(11)13/h5-8,10H,4,9H2,1-3H3
InChIKeyBWJHGRPKYBDOBU-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.06
Rot. Bonds4

About N-ethyl-N-[(2-fluorophenyl)methyl]propan-2-amine

N-ethyl-N-[(2-fluorophenyl)methyl]propan-2-amine (PubChem CID 23559569) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is N-ethyl-N-[(2-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[(2-fluorophenyl)methyl]propan-2-amine
PubChem CID23559569
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC NameN-ethyl-N-[(2-fluorophenyl)methyl]propan-2-amine
SMILESCCN(Cc1ccccc1F)C(C)C
InChIInChI=1S/C12H18FN/c1-4-14(10(2)3)9-11-7-5-6-8-12(11)13/h5-8,10H,4,9H2,1-3H3
InChIKeyBWJHGRPKYBDOBU-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-fluorophenyl)methyl]propan-2-amine?
The IUPAC name of N-ethyl-N-[(2-fluorophenyl)methyl]propan-2-amine (CID 23559569) is N-ethyl-N-[(2-fluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for N-ethyl-N-[(2-fluorophenyl)methyl]propan-2-amine?
The canonical SMILES for N-ethyl-N-[(2-fluorophenyl)methyl]propan-2-amine is CCN(Cc1ccccc1F)C(C)C.
What is the InChIKey of N-ethyl-N-[(2-fluorophenyl)methyl]propan-2-amine?
The InChIKey is BWJHGRPKYBDOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-4-14(10(2)3)9-11-7-5-6-8-12(11)13/h5-8,10H,4,9H2,1-3H3.
What are the key properties of N-ethyl-N-[(2-fluorophenyl)methyl]propan-2-amine?
N-ethyl-N-[(2-fluorophenyl)methyl]propan-2-amine has a molecular weight of 195.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 23559569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).