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

C18H30N2O — CID 62018728

IUPACN-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine
SMILESCNCc1ccc(OC)c(CN(C)C2CCCCCC2)c1
InChIInChI=1S/C18H30N2O/c1-19-13-15-10-11-18(21-3)16(12-15)14-20(2)17-8-6-4-5-7-9-17/h10-12,17,19H,4-9,13-14H2,1-3H3
InChIKeyYIQLRFFOEOUTGY-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.57
Rot. Bonds6

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

N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine (PubChem CID 62018728) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine
PubChem CID62018728
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine
SMILESCNCc1ccc(OC)c(CN(C)C2CCCCCC2)c1
InChIInChI=1S/C18H30N2O/c1-19-13-15-10-11-18(21-3)16(12-15)14-20(2)17-8-6-4-5-7-9-17/h10-12,17,19H,4-9,13-14H2,1-3H3
InChIKeyYIQLRFFOEOUTGY-UHFFFAOYSA-N
XLogP3.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.57
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-methylcyclohexanamine
CID 62017781
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-methylcycloheptanamine?
The IUPAC name of N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine (CID 62018728) is N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine is CNCc1ccc(OC)c(CN(C)C2CCCCCC2)c1.
What is the InChIKey of N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine?
The InChIKey is YIQLRFFOEOUTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-19-13-15-10-11-18(21-3)16(12-15)14-20(2)17-8-6-4-5-7-9-17/h10-12,17,19H,4-9,13-14H2,1-3H3.
What are the key properties of N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine?
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine has a molecular weight of 290.45 g/mol, XLogP of 3.57, 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-methylcycloheptanamine is sourced from PubChem (CID 62018728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).