2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline

C16H26N2O — CID 61443699

IUPAC2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline
SMILESCOc1ccc(CN(C)C2CCCC(C)C2)cc1N
InChIInChI=1S/C16H26N2O/c1-12-5-4-6-14(9-12)18(2)11-13-7-8-16(19-3)15(17)10-13/h7-8,10,12,14H,4-6,9,11,17H2,1-3H3
InChIKeyINSVGYHDQDEJTF-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.29
Rot. Bonds4

About 2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline

2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline (PubChem CID 61443699) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline
PubChem CID61443699
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline
SMILESCOc1ccc(CN(C)C2CCCC(C)C2)cc1N
InChIInChI=1S/C16H26N2O/c1-12-5-4-6-14(9-12)18(2)11-13-7-8-16(19-3)15(17)10-13/h7-8,10,12,14H,4-6,9,11,17H2,1-3H3
InChIKeyINSVGYHDQDEJTF-UHFFFAOYSA-N
XLogP3.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline
CID 55000180
4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine
CID 62471042
2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol
CID 82982535
5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline
CID 43686520
5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603
5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2-methoxyaniline
CID 61433786
N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine
CID 21435419
3-[(3-amino-4-methoxyphenyl)methyl-cyclopropylamino]propanenitrile
CID 54996361
N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine
CID 43613742
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 65339207
2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline
CID 61444227
2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline
CID 63272706

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline?
The IUPAC name of 2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline (CID 61443699) is 2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline.
What is the SMILES notation for 2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline?
The canonical SMILES for 2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline is COc1ccc(CN(C)C2CCCC(C)C2)cc1N.
What is the InChIKey of 2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline?
The InChIKey is INSVGYHDQDEJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-5-4-6-14(9-12)18(2)11-13-7-8-16(19-3)15(17)10-13/h7-8,10,12,14H,4-6,9,11,17H2,1-3H3.
What are the key properties of 2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline?
2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline is sourced from PubChem (CID 61443699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).