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

C15H25FN2 — CID 115138404

IUPAC2-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)NCC(C)(C)c1ccccc1F
InChIInChI=1S/C15H25FN2/c1-11(2)14(9-17)18-10-15(3,4)12-7-5-6-8-13(12)16/h5-8,11,14,18H,9-10,17H2,1-4H3
InChIKeyUZMCQVATCPMRSG-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.68
Rot. Bonds6

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

2-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine (PubChem CID 115138404) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine
PubChem CID115138404
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)NCC(C)(C)c1ccccc1F
InChIInChI=1S/C15H25FN2/c1-11(2)14(9-17)18-10-15(3,4)12-7-5-6-8-13(12)16/h5-8,11,14,18H,9-10,17H2,1-4H3
InChIKeyUZMCQVATCPMRSG-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine (CID 115138404) is 2-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine is CC(C)C(CN)NCC(C)(C)c1ccccc1F.
What is the InChIKey of 2-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine?
The InChIKey is UZMCQVATCPMRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-11(2)14(9-17)18-10-15(3,4)12-7-5-6-8-13(12)16/h5-8,11,14,18H,9-10,17H2,1-4H3.
What are the key properties of 2-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine?
2-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine is sourced from PubChem (CID 115138404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).