N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine

C17H28N2O — CID 62017781

IUPACN-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine
SMILESCNCc1ccc(OC)c(CN(C)C2CCCCC2)c1
InChIInChI=1S/C17H28N2O/c1-18-12-14-9-10-17(20-3)15(11-14)13-19(2)16-7-5-4-6-8-16/h9-11,16,18H,4-8,12-13H2,1-3H3
InChIKeyJDILCAXNIUZDTG-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.18
Rot. Bonds6

About N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine

N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine (PubChem CID 62017781) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine
PubChem CID62017781
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine
SMILESCNCc1ccc(OC)c(CN(C)C2CCCCC2)c1
InChIInChI=1S/C17H28N2O/c1-18-12-14-9-10-17(20-3)15(11-14)13-19(2)16-7-5-4-6-8-16/h9-11,16,18H,4-8,12-13H2,1-3H3
InChIKeyJDILCAXNIUZDTG-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine
CID 62018728
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 62018739
N-[[2-methoxy-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methylcyclopropanamine
CID 62018353
1-cyclopropyl-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylmethanamine
CID 62017230
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62424446
N-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine
CID 107398013
N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62019654
2-methoxy-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 62019469
2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 62018917
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 107454523
1-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-4-methoxyphenyl]-N-methylmethanamine
CID 65320691
N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine
CID 21435419

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine (CID 62017781) is N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine is CNCc1ccc(OC)c(CN(C)C2CCCCC2)c1.
What is the InChIKey of N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine?
The InChIKey is JDILCAXNIUZDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-18-12-14-9-10-17(20-3)15(11-14)13-19(2)16-7-5-4-6-8-16/h9-11,16,18H,4-8,12-13H2,1-3H3.
What are the key properties of N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine?
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine has a molecular weight of 276.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine is sourced from PubChem (CID 62017781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).