4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]-N-benzyl-N-ethylcyclohexan-1-amine

C23H30F2N2 — CID 53322823

IUPAC4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]-N-benzyl-N-ethylcyclohexan-1-amine
SMILESCCN(Cc1ccccc1)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C23H30F2N2/c1-2-27(16-17-6-4-3-5-7-17)21-11-8-18(9-12-21)23(26)15-19-14-20(24)10-13-22(19)25/h3-7,10,13-14,18,21,23H,2,8-9,11-12,15-16,26H2,1H3/t18?,21?,23-/m1/s1
InChIKeyQUWKQLILDNQOAB-PSGUAHCZSA-N
MW372.50 g/mol
LogP4.92
Rot. Bonds7

About 4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]-N-benzyl-N-ethylcyclohexan-1-amine

4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]-N-benzyl-N-ethylcyclohexan-1-amine (PubChem CID 53322823) has the molecular formula C23H30F2N2 and a molecular weight of 372.50 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]-N-benzyl-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]-N-benzyl-N-ethylcyclohexan-1-amine
PubChem CID53322823
Molecular FormulaC23H30F2N2
Molecular Weight372.50 g/mol
Exact Mass372.24
IUPAC Name4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]-N-benzyl-N-ethylcyclohexan-1-amine
SMILESCCN(Cc1ccccc1)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C23H30F2N2/c1-2-27(16-17-6-4-3-5-7-17)21-11-8-18(9-12-21)23(26)15-19-14-20(24)10-13-22(19)25/h3-7,10,13-14,18,21,23H,2,8-9,11-12,15-16,26H2,1H3/t18?,21?,23-/m1/s1
InChIKeyQUWKQLILDNQOAB-PSGUAHCZSA-N
XLogP4.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]-N-benzyl-N-ethylcyclohexan-1-amine?
The IUPAC name of 4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]-N-benzyl-N-ethylcyclohexan-1-amine (CID 53322823) is 4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]-N-benzyl-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]-N-benzyl-N-ethylcyclohexan-1-amine?
The canonical SMILES for 4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]-N-benzyl-N-ethylcyclohexan-1-amine is CCN(Cc1ccccc1)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1.
What is the InChIKey of 4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]-N-benzyl-N-ethylcyclohexan-1-amine?
The InChIKey is QUWKQLILDNQOAB-PSGUAHCZSA-N. The full InChI is InChI=1S/C23H30F2N2/c1-2-27(16-17-6-4-3-5-7-17)21-11-8-18(9-12-21)23(26)15-19-14-20(24)10-13-22(19)25/h3-7,10,13-14,18,21,23H,2,8-9,11-12,15-16,26H2,1H3/t18?,21?,23-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]-N-benzyl-N-ethylcyclohexan-1-amine?
4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]-N-benzyl-N-ethylcyclohexan-1-amine has a molecular weight of 372.50 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]-N-benzyl-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 53322823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).