N,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline

C17H28N2O — CID 62585348

IUPACN,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline
SMILESCC1CCCCC1NCCOc1cccc(N(C)C)c1
InChIInChI=1S/C17H28N2O/c1-14-7-4-5-10-17(14)18-11-12-20-16-9-6-8-15(13-16)19(2)3/h6,8-9,13-14,17-18H,4-5,7,10-12H2,1-3H3
InChIKeyWQGBOETWKUMMEN-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.30
Rot. Bonds6

About N,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline

N,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline (PubChem CID 62585348) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline
PubChem CID62585348
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline
SMILESCC1CCCCC1NCCOc1cccc(N(C)C)c1
InChIInChI=1S/C17H28N2O/c1-14-7-4-5-10-17(14)18-11-12-20-16-9-6-8-15(13-16)19(2)3/h6,8-9,13-14,17-18H,4-5,7,10-12H2,1-3H3
InChIKeyWQGBOETWKUMMEN-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine
CID 63099181
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine
CID 63516082
2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine
CID 55199783
2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine
CID 64761505
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
2-[2-(3-methylphenoxy)ethylamino]cyclohexane-1-carbonitrile
CID 62741177
3-[2-(diethylamino)ethoxy]-N,N-dimethylaniline
CID 58006190
N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine
CID 63506543
N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline
CID 62584415
N,N-dimethyl-3-[2-(pyridin-2-ylmethylamino)ethoxy]aniline
CID 62584977
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylcyclohexan-1-amine
CID 63506584
2-(2-phenoxyethylamino)cyclohexan-1-ol
CID 54943356

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline?
The IUPAC name of N,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline (CID 62585348) is N,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline.
What is the SMILES notation for N,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline?
The canonical SMILES for N,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline is CC1CCCCC1NCCOc1cccc(N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline?
The InChIKey is WQGBOETWKUMMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-7-4-5-10-17(14)18-11-12-20-16-9-6-8-15(13-16)19(2)3/h6,8-9,13-14,17-18H,4-5,7,10-12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline?
N,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline has a molecular weight of 276.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline is sourced from PubChem (CID 62585348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).