2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline

C16H26N2O — CID 106871933

IUPAC2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline
SMILESCOC1CCCC(Nc2ccccc2CN(C)C)C1
InChIInChI=1S/C16H26N2O/c1-18(2)12-13-7-4-5-10-16(13)17-14-8-6-9-15(11-14)19-3/h4-5,7,10,14-15,17H,6,8-9,11-12H2,1-3H3
InChIKeyMIDBUIGUJRTKKY-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.12
Rot. Bonds5

About 2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline

2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline (PubChem CID 106871933) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline
PubChem CID106871933
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline
SMILESCOC1CCCC(Nc2ccccc2CN(C)C)C1
InChIInChI=1S/C16H26N2O/c1-18(2)12-13-7-4-5-10-16(13)17-14-8-6-9-15(11-14)19-3/h4-5,7,10,14-15,17H,6,8-9,11-12H2,1-3H3
InChIKeyMIDBUIGUJRTKKY-UHFFFAOYSA-N
XLogP3.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448283
N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65083143
N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine
CID 103981509
3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106871888
N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine
CID 65070089
2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline
CID 104859978
N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline
CID 106871886
2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine
CID 106871796
N-[2-(methoxymethyl)phenyl]cyclooctanamine
CID 43677867
5-[(3-methoxycyclohexyl)amino]naphthalen-1-ol
CID 106871902
N-cyclobutyl-2-(2-methoxyethyl)aniline
CID 102848928
N-[2-[(dimethylamino)methyl]phenyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43750113

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline?
The IUPAC name of 2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline (CID 106871933) is 2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline is COC1CCCC(Nc2ccccc2CN(C)C)C1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline?
The InChIKey is MIDBUIGUJRTKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(2)12-13-7-4-5-10-16(13)17-14-8-6-9-15(11-14)19-3/h4-5,7,10,14-15,17H,6,8-9,11-12H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline?
2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline has a molecular weight of 262.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline is sourced from PubChem (CID 106871933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).