2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine

C14H23FN2 — CID 28802156

IUPAC2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
SMILESCCC(CC)(CN)N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H23FN2/c1-4-14(5-2,11-16)17(3)10-12-7-6-8-13(15)9-12/h6-9H,4-5,10-11,16H2,1-3H3
InChIKeyYWWQPGVRLPVGQY-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.78
Rot. Bonds6

About 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine

2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine (PubChem CID 28802156) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
PubChem CID28802156
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
SMILESCCC(CC)(CN)N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H23FN2/c1-4-14(5-2,11-16)17(3)10-12-7-6-8-13(15)9-12/h6-9H,4-5,10-11,16H2,1-3H3
InChIKeyYWWQPGVRLPVGQY-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine (CID 28802156) is 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine is CCC(CC)(CN)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine?
The InChIKey is YWWQPGVRLPVGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-14(5-2,11-16)17(3)10-12-7-6-8-13(15)9-12/h6-9H,4-5,10-11,16H2,1-3H3.
What are the key properties of 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine?
2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 28802156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).