N-[(1R)-2-fluoro-4-propylcyclohex-2-en-1-yl]-5-(2-fluoro-4-propylphenyl)cyclohexa-1,3-dien-1-amine

C24H31F2N — CID 118617022

IUPACN-[(1R)-2-fluoro-4-propylcyclohex-2-en-1-yl]-5-(2-fluoro-4-propylphenyl)cyclohexa-1,3-dien-1-amine
SMILESCCCc1ccc(C2C=CC=C(N[C@@H]3CCC(CCC)C=C3F)C2)c(F)c1
InChIInChI=1S/C24H31F2N/c1-3-6-17-10-12-21(22(25)14-17)19-8-5-9-20(16-19)27-24-13-11-18(7-4-2)15-23(24)26/h5,8-10,12,14-15,18-19,24,27H,3-4,6-7,11,13,16H2,1-2H3/t18?,19?,24-/m1/s1
InChIKeyOXOLEUMSLHENSC-RGELYXPASA-N
MW371.52 g/mol
LogP6.73
Rot. Bonds7

About N-[(1R)-2-fluoro-4-propylcyclohex-2-en-1-yl]-5-(2-fluoro-4-propylphenyl)cyclohexa-1,3-dien-1-amine

N-[(1R)-2-fluoro-4-propylcyclohex-2-en-1-yl]-5-(2-fluoro-4-propylphenyl)cyclohexa-1,3-dien-1-amine (PubChem CID 118617022) has the molecular formula C24H31F2N and a molecular weight of 371.52 g/mol. Its IUPAC name is N-[(1R)-2-fluoro-4-propylcyclohex-2-en-1-yl]-5-(2-fluoro-4-propylphenyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-[(1R)-2-fluoro-4-propylcyclohex-2-en-1-yl]-5-(2-fluoro-4-propylphenyl)cyclohexa-1,3-dien-1-amine
PubChem CID118617022
Molecular FormulaC24H31F2N
Molecular Weight371.52 g/mol
Exact Mass371.24
IUPAC NameN-[(1R)-2-fluoro-4-propylcyclohex-2-en-1-yl]-5-(2-fluoro-4-propylphenyl)cyclohexa-1,3-dien-1-amine
SMILESCCCc1ccc(C2C=CC=C(N[C@@H]3CCC(CCC)C=C3F)C2)c(F)c1
InChIInChI=1S/C24H31F2N/c1-3-6-17-10-12-21(22(25)14-17)19-8-5-9-20(16-19)27-24-13-11-18(7-4-2)15-23(24)26/h5,8-10,12,14-15,18-19,24,27H,3-4,6-7,11,13,16H2,1-2H3/t18?,19?,24-/m1/s1
InChIKeyOXOLEUMSLHENSC-RGELYXPASA-N
XLogP6.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-fluoro-4-propylcyclohex-2-en-1-yl]-5-(2-fluoro-4-propylphenyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of N-[(1R)-2-fluoro-4-propylcyclohex-2-en-1-yl]-5-(2-fluoro-4-propylphenyl)cyclohexa-1,3-dien-1-amine (CID 118617022) is N-[(1R)-2-fluoro-4-propylcyclohex-2-en-1-yl]-5-(2-fluoro-4-propylphenyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-[(1R)-2-fluoro-4-propylcyclohex-2-en-1-yl]-5-(2-fluoro-4-propylphenyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-[(1R)-2-fluoro-4-propylcyclohex-2-en-1-yl]-5-(2-fluoro-4-propylphenyl)cyclohexa-1,3-dien-1-amine is CCCc1ccc(C2C=CC=C(N[C@@H]3CCC(CCC)C=C3F)C2)c(F)c1.
What is the InChIKey of N-[(1R)-2-fluoro-4-propylcyclohex-2-en-1-yl]-5-(2-fluoro-4-propylphenyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is OXOLEUMSLHENSC-RGELYXPASA-N. The full InChI is InChI=1S/C24H31F2N/c1-3-6-17-10-12-21(22(25)14-17)19-8-5-9-20(16-19)27-24-13-11-18(7-4-2)15-23(24)26/h5,8-10,12,14-15,18-19,24,27H,3-4,6-7,11,13,16H2,1-2H3/t18?,19?,24-/m1/s1.
What are the key properties of N-[(1R)-2-fluoro-4-propylcyclohex-2-en-1-yl]-5-(2-fluoro-4-propylphenyl)cyclohexa-1,3-dien-1-amine?
N-[(1R)-2-fluoro-4-propylcyclohex-2-en-1-yl]-5-(2-fluoro-4-propylphenyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 371.52 g/mol, XLogP of 6.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-fluoro-4-propylcyclohex-2-en-1-yl]-5-(2-fluoro-4-propylphenyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 118617022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).