N,N-dimethyl-4-[[2-(1-phenylcyclohexyl)ethylamino]methyl]aniline

C23H32N2 — CID 39337165

IUPACN,N-dimethyl-4-[[2-(1-phenylcyclohexyl)ethylamino]methyl]aniline
SMILESCN(C)c1ccc(CNCCC2(c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C23H32N2/c1-25(2)22-13-11-20(12-14-22)19-24-18-17-23(15-7-4-8-16-23)21-9-5-3-6-10-21/h3,5-6,9-14,24H,4,7-8,15-19H2,1-2H3
InChIKeyVTEVINMCXCVSNA-UHFFFAOYSA-N
MW336.52 g/mol
LogP5.13
Rot. Bonds7

About N,N-dimethyl-4-[[2-(1-phenylcyclohexyl)ethylamino]methyl]aniline

N,N-dimethyl-4-[[2-(1-phenylcyclohexyl)ethylamino]methyl]aniline (PubChem CID 39337165) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-(1-phenylcyclohexyl)ethylamino]methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-(1-phenylcyclohexyl)ethylamino]methyl]aniline
PubChem CID39337165
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC NameN,N-dimethyl-4-[[2-(1-phenylcyclohexyl)ethylamino]methyl]aniline
SMILESCN(C)c1ccc(CNCCC2(c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C23H32N2/c1-25(2)22-13-11-20(12-14-22)19-24-18-17-23(15-7-4-8-16-23)21-9-5-3-6-10-21/h3,5-6,9-14,24H,4,7-8,15-19H2,1-2H3
InChIKeyVTEVINMCXCVSNA-UHFFFAOYSA-N
XLogP5.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-(1-phenylcyclohexyl)ethylamino]methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[[2-(1-phenylcyclohexyl)ethylamino]methyl]aniline (CID 39337165) is N,N-dimethyl-4-[[2-(1-phenylcyclohexyl)ethylamino]methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[[2-(1-phenylcyclohexyl)ethylamino]methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[[2-(1-phenylcyclohexyl)ethylamino]methyl]aniline is CN(C)c1ccc(CNCCC2(c3ccccc3)CCCCC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-(1-phenylcyclohexyl)ethylamino]methyl]aniline?
The InChIKey is VTEVINMCXCVSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-25(2)22-13-11-20(12-14-22)19-24-18-17-23(15-7-4-8-16-23)21-9-5-3-6-10-21/h3,5-6,9-14,24H,4,7-8,15-19H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[[2-(1-phenylcyclohexyl)ethylamino]methyl]aniline?
N,N-dimethyl-4-[[2-(1-phenylcyclohexyl)ethylamino]methyl]aniline has a molecular weight of 336.52 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-(1-phenylcyclohexyl)ethylamino]methyl]aniline is sourced from PubChem (CID 39337165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).