N-cyclohexyl-4-[4-[4-(cyclopentylamino)phenyl]-2,5-difluoro-3-methylphenyl]aniline;molecular hydrogen

C30H38F2N2 — CID 142154397

IUPACN-cyclohexyl-4-[4-[4-(cyclopentylamino)phenyl]-2,5-difluoro-3-methylphenyl]aniline;molecular hydrogen
SMILESCc1c(F)c(-c2ccc(NC3CCCCC3)cc2)cc(F)c1-c1ccc(NC2CCCC2)cc1.[H][H].[H][H]
InChIInChI=1S/C30H34F2N2.2H2/c1-20-29(22-13-17-26(18-14-22)34-24-9-5-6-10-24)28(31)19-27(30(20)32)21-11-15-25(16-12-21)33-23-7-3-2-4-8-23;;/h11-19,23-24,33-34H,2-10H2,1H3;2*1H
InChIKeyLHFAYBSEJXOPMS-UHFFFAOYSA-N
MW464.64 g/mol
LogP9.20
Rot. Bonds6

About N-cyclohexyl-4-[4-[4-(cyclopentylamino)phenyl]-2,5-difluoro-3-methylphenyl]aniline;molecular hydrogen

N-cyclohexyl-4-[4-[4-(cyclopentylamino)phenyl]-2,5-difluoro-3-methylphenyl]aniline;molecular hydrogen (PubChem CID 142154397) has the molecular formula C30H38F2N2 and a molecular weight of 464.64 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-[4-(cyclopentylamino)phenyl]-2,5-difluoro-3-methylphenyl]aniline;molecular hydrogen.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-[4-(cyclopentylamino)phenyl]-2,5-difluoro-3-methylphenyl]aniline;molecular hydrogen
PubChem CID142154397
Molecular FormulaC30H38F2N2
Molecular Weight464.64 g/mol
Exact Mass464.30
IUPAC NameN-cyclohexyl-4-[4-[4-(cyclopentylamino)phenyl]-2,5-difluoro-3-methylphenyl]aniline;molecular hydrogen
SMILESCc1c(F)c(-c2ccc(NC3CCCCC3)cc2)cc(F)c1-c1ccc(NC2CCCC2)cc1.[H][H].[H][H]
InChIInChI=1S/C30H34F2N2.2H2/c1-20-29(22-13-17-26(18-14-22)34-24-9-5-6-10-24)28(31)19-27(30(20)32)21-11-15-25(16-12-21)33-23-7-3-2-4-8-23;;/h11-19,23-24,33-34H,2-10H2,1H3;2*1H
InChIKeyLHFAYBSEJXOPMS-UHFFFAOYSA-N
XLogP9.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.64
LogP ≤ 59.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-[4-(cyclopentylamino)phenyl]-2,5-difluoro-3-methylphenyl]aniline;molecular hydrogen?
The IUPAC name of N-cyclohexyl-4-[4-[4-(cyclopentylamino)phenyl]-2,5-difluoro-3-methylphenyl]aniline;molecular hydrogen (CID 142154397) is N-cyclohexyl-4-[4-[4-(cyclopentylamino)phenyl]-2,5-difluoro-3-methylphenyl]aniline;molecular hydrogen.
What is the SMILES notation for N-cyclohexyl-4-[4-[4-(cyclopentylamino)phenyl]-2,5-difluoro-3-methylphenyl]aniline;molecular hydrogen?
The canonical SMILES for N-cyclohexyl-4-[4-[4-(cyclopentylamino)phenyl]-2,5-difluoro-3-methylphenyl]aniline;molecular hydrogen is Cc1c(F)c(-c2ccc(NC3CCCCC3)cc2)cc(F)c1-c1ccc(NC2CCCC2)cc1.[H][H].[H][H].
What is the InChIKey of N-cyclohexyl-4-[4-[4-(cyclopentylamino)phenyl]-2,5-difluoro-3-methylphenyl]aniline;molecular hydrogen?
The InChIKey is LHFAYBSEJXOPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F2N2.2H2/c1-20-29(22-13-17-26(18-14-22)34-24-9-5-6-10-24)28(31)19-27(30(20)32)21-11-15-25(16-12-21)33-23-7-3-2-4-8-23;;/h11-19,23-24,33-34H,2-10H2,1H3;2*1H.
What are the key properties of N-cyclohexyl-4-[4-[4-(cyclopentylamino)phenyl]-2,5-difluoro-3-methylphenyl]aniline;molecular hydrogen?
N-cyclohexyl-4-[4-[4-(cyclopentylamino)phenyl]-2,5-difluoro-3-methylphenyl]aniline;molecular hydrogen has a molecular weight of 464.64 g/mol, XLogP of 9.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-[4-(cyclopentylamino)phenyl]-2,5-difluoro-3-methylphenyl]aniline;molecular hydrogen is sourced from PubChem (CID 142154397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).