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

C20H24F2N2 — CID 18660068

IUPACtrans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
SMILESFc1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24F2N2/c21-17-9-5-15(6-10-17)13-23-19-3-1-2-4-20(19)24-14-16-7-11-18(22)12-8-16/h5-12,19-20,23-24H,1-4,13-14H2/t19-,20-/m1/s1
InChIKeyQTUZDQRFYDFJHL-WOJBJXKFSA-N
MW330.42 g/mol
LogP4.16
Rot. Bonds6

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

trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine (PubChem CID 18660068) has the molecular formula C20H24F2N2 and a molecular weight of 330.42 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
PubChem CID18660068
Molecular FormulaC20H24F2N2
Molecular Weight330.42 g/mol
Exact Mass330.19
IUPAC Nametrans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
SMILESFc1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24F2N2/c21-17-9-5-15(6-10-17)13-23-19-3-1-2-4-20(19)24-14-16-7-11-18(22)12-8-16/h5-12,19-20,23-24H,1-4,13-14H2/t19-,20-/m1/s1
InChIKeyQTUZDQRFYDFJHL-WOJBJXKFSA-N
XLogP4.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine (CID 18660068) is trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine is Fc1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccc(F)cc2)cc1.
What is the InChIKey of trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine?
The InChIKey is QTUZDQRFYDFJHL-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H24F2N2/c21-17-9-5-15(6-10-17)13-23-19-3-1-2-4-20(19)24-14-16-7-11-18(22)12-8-16/h5-12,19-20,23-24H,1-4,13-14H2/t19-,20-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine?
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine has a molecular weight of 330.42 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 18660068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).