2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine

C20H24F2N2 — CID 170991026

IUPAC2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
SMILESNC1CCCCC1N(Cc1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C20H24F2N2/c21-17-9-5-15(6-10-17)13-24(20-4-2-1-3-19(20)23)14-16-7-11-18(22)12-8-16/h5-12,19-20H,1-4,13-14,23H2
InChIKeyOCPWIQSMUUNOBY-UHFFFAOYSA-N
MW330.42 g/mol
LogP4.24
Rot. Bonds5

About 2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine

2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine (PubChem CID 170991026) has the molecular formula C20H24F2N2 and a molecular weight of 330.42 g/mol. Its IUPAC name is 2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
PubChem CID170991026
Molecular FormulaC20H24F2N2
Molecular Weight330.42 g/mol
Exact Mass330.19
IUPAC Name2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
SMILESNC1CCCCC1N(Cc1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C20H24F2N2/c21-17-9-5-15(6-10-17)13-24(20-4-2-1-3-19(20)23)14-16-7-11-18(22)12-8-16/h5-12,19-20H,1-4,13-14,23H2
InChIKeyOCPWIQSMUUNOBY-UHFFFAOYSA-N
XLogP4.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of 2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine (CID 170991026) is 2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for 2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine is NC1CCCCC1N(Cc1ccc(F)cc1)Cc1ccc(F)cc1.
What is the InChIKey of 2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine?
The InChIKey is OCPWIQSMUUNOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2/c21-17-9-5-15(6-10-17)13-24(20-4-2-1-3-19(20)23)14-16-7-11-18(22)12-8-16/h5-12,19-20H,1-4,13-14,23H2.
What are the key properties of 2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine?
2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine has a molecular weight of 330.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 170991026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).