N,2-dimethyl-4-[1-[3-methyl-4-(methylamino)phenyl]cyclohexyl]aniline

C22H30N2 — CID 21022914

IUPACN,2-dimethyl-4-[1-[3-methyl-4-(methylamino)phenyl]cyclohexyl]aniline
SMILESCNc1ccc(C2(c3ccc(NC)c(C)c3)CCCCC2)cc1C
InChIInChI=1S/C22H30N2/c1-16-14-18(8-10-20(16)23-3)22(12-6-5-7-13-22)19-9-11-21(24-4)17(2)15-19/h8-11,14-15,23-24H,5-7,12-13H2,1-4H3
InChIKeyUKOOJDDVFLNVQB-UHFFFAOYSA-N
MW322.50 g/mol
LogP5.64
Rot. Bonds4

About N,2-dimethyl-4-[1-[3-methyl-4-(methylamino)phenyl]cyclohexyl]aniline

N,2-dimethyl-4-[1-[3-methyl-4-(methylamino)phenyl]cyclohexyl]aniline (PubChem CID 21022914) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N,2-dimethyl-4-[1-[3-methyl-4-(methylamino)phenyl]cyclohexyl]aniline.

Molecular Properties

Compound NameN,2-dimethyl-4-[1-[3-methyl-4-(methylamino)phenyl]cyclohexyl]aniline
PubChem CID21022914
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC NameN,2-dimethyl-4-[1-[3-methyl-4-(methylamino)phenyl]cyclohexyl]aniline
SMILESCNc1ccc(C2(c3ccc(NC)c(C)c3)CCCCC2)cc1C
InChIInChI=1S/C22H30N2/c1-16-14-18(8-10-20(16)23-3)22(12-6-5-7-13-22)19-9-11-21(24-4)17(2)15-19/h8-11,14-15,23-24H,5-7,12-13H2,1-4H3
InChIKeyUKOOJDDVFLNVQB-UHFFFAOYSA-N
XLogP5.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-[1-[3-methyl-4-(methylamino)phenyl]cyclohexyl]aniline?
The IUPAC name of N,2-dimethyl-4-[1-[3-methyl-4-(methylamino)phenyl]cyclohexyl]aniline (CID 21022914) is N,2-dimethyl-4-[1-[3-methyl-4-(methylamino)phenyl]cyclohexyl]aniline.
What is the SMILES notation for N,2-dimethyl-4-[1-[3-methyl-4-(methylamino)phenyl]cyclohexyl]aniline?
The canonical SMILES for N,2-dimethyl-4-[1-[3-methyl-4-(methylamino)phenyl]cyclohexyl]aniline is CNc1ccc(C2(c3ccc(NC)c(C)c3)CCCCC2)cc1C.
What is the InChIKey of N,2-dimethyl-4-[1-[3-methyl-4-(methylamino)phenyl]cyclohexyl]aniline?
The InChIKey is UKOOJDDVFLNVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-16-14-18(8-10-20(16)23-3)22(12-6-5-7-13-22)19-9-11-21(24-4)17(2)15-19/h8-11,14-15,23-24H,5-7,12-13H2,1-4H3.
What are the key properties of N,2-dimethyl-4-[1-[3-methyl-4-(methylamino)phenyl]cyclohexyl]aniline?
N,2-dimethyl-4-[1-[3-methyl-4-(methylamino)phenyl]cyclohexyl]aniline has a molecular weight of 322.50 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-[1-[3-methyl-4-(methylamino)phenyl]cyclohexyl]aniline is sourced from PubChem (CID 21022914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).