2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine

C16H25FN2 — CID 114831363

IUPAC2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCN(CC1CCC1)C(C)(CN)Cc1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-16(12-18,19(2)11-14-4-3-5-14)10-13-6-8-15(17)9-7-13/h6-9,14H,3-5,10-12,18H2,1-2H3
InChIKeyFAXNWWWIOVUSKJ-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.82
Rot. Bonds6

About 2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine

2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 114831363) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID114831363
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCN(CC1CCC1)C(C)(CN)Cc1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-16(12-18,19(2)11-14-4-3-5-14)10-13-6-8-15(17)9-7-13/h6-9,14H,3-5,10-12,18H2,1-2H3
InChIKeyFAXNWWWIOVUSKJ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine (CID 114831363) is 2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine is CN(CC1CCC1)C(C)(CN)Cc1ccc(F)cc1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is FAXNWWWIOVUSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-16(12-18,19(2)11-14-4-3-5-14)10-13-6-8-15(17)9-7-13/h6-9,14H,3-5,10-12,18H2,1-2H3.
What are the key properties of 2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 114831363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).