2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine

C16H25FN2 — CID 107520391

IUPAC2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine
SMILESCC(C)CN(C1CC1)C(C)C(N)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-11(2)10-19(15-8-9-15)12(3)16(18)13-4-6-14(17)7-5-13/h4-7,11-12,15-16H,8-10,18H2,1-3H3
InChIKeyUDDNSBXGIGHYGZ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.33
Rot. Bonds6

About 2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine

2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 107520391) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID107520391
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine
SMILESCC(C)CN(C1CC1)C(C)C(N)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-11(2)10-19(15-8-9-15)12(3)16(18)13-4-6-14(17)7-5-13/h4-7,11-12,15-16H,8-10,18H2,1-3H3
InChIKeyUDDNSBXGIGHYGZ-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine (CID 107520391) is 2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine is CC(C)CN(C1CC1)C(C)C(N)c1ccc(F)cc1.
What is the InChIKey of 2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is UDDNSBXGIGHYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-11(2)10-19(15-8-9-15)12(3)16(18)13-4-6-14(17)7-5-13/h4-7,11-12,15-16H,8-10,18H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine?
2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 107520391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).