3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine

C15H25FN2 — CID 22958965

IUPAC3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
SMILESCC(C)N(CC(N)Cc1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H25FN2/c1-11(2)18(12(3)4)10-15(17)9-13-5-7-14(16)8-6-13/h5-8,11-12,15H,9-10,17H2,1-4H3
InChIKeyKQDZBTWKJUWLGZ-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.81
Rot. Bonds6

About 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine

3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine (PubChem CID 22958965) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
PubChem CID22958965
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
SMILESCC(C)N(CC(N)Cc1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H25FN2/c1-11(2)18(12(3)4)10-15(17)9-13-5-7-14(16)8-6-13/h5-8,11-12,15H,9-10,17H2,1-4H3
InChIKeyKQDZBTWKJUWLGZ-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine?
The IUPAC name of 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine (CID 22958965) is 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine?
The canonical SMILES for 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine is CC(C)N(CC(N)Cc1ccc(F)cc1)C(C)C.
What is the InChIKey of 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine?
The InChIKey is KQDZBTWKJUWLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-11(2)18(12(3)4)10-15(17)9-13-5-7-14(16)8-6-13/h5-8,11-12,15H,9-10,17H2,1-4H3.
What are the key properties of 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine?
3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 22958965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).