3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine

C16H27FN2O2 — CID 114831154

IUPAC3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine
SMILESCOCCN(CCOC)C(C)(CN)Cc1ccc(F)cc1
InChIInChI=1S/C16H27FN2O2/c1-16(13-18,12-14-4-6-15(17)7-5-14)19(8-10-20-2)9-11-21-3/h4-7H,8-13,18H2,1-3H3
InChIKeyBWSTUDAUJWKODJ-UHFFFAOYSA-N
MW298.40 g/mol
LogP1.68
Rot. Bonds10

About 3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine

3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine (PubChem CID 114831154) has the molecular formula C16H27FN2O2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine
PubChem CID114831154
Molecular FormulaC16H27FN2O2
Molecular Weight298.40 g/mol
Exact Mass298.21
IUPAC Name3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine
SMILESCOCCN(CCOC)C(C)(CN)Cc1ccc(F)cc1
InChIInChI=1S/C16H27FN2O2/c1-16(13-18,12-14-4-6-15(17)7-5-14)19(8-10-20-2)9-11-21-3/h4-7H,8-13,18H2,1-3H3
InChIKeyBWSTUDAUJWKODJ-UHFFFAOYSA-N
XLogP1.68
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine (CID 114831154) is 3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine is COCCN(CCOC)C(C)(CN)Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine?
The InChIKey is BWSTUDAUJWKODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O2/c1-16(13-18,12-14-4-6-15(17)7-5-14)19(8-10-20-2)9-11-21-3/h4-7H,8-13,18H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine?
3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine has a molecular weight of 298.40 g/mol, XLogP of 1.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-N,2-N-bis(2-methoxyethyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 114831154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).