N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine

C19H31NO — CID 106680669

IUPACN-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1c(C)cc(C)cc1OC)C1CCCCCC1
InChIInChI=1S/C19H31NO/c1-5-20-19(16-10-8-6-7-9-11-16)18-15(3)12-14(2)13-17(18)21-4/h12-13,16,19-20H,5-11H2,1-4H3
InChIKeyMLFZZBKMYZYXRW-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.93
Rot. Bonds5

About N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine

N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine (PubChem CID 106680669) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
PubChem CID106680669
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1c(C)cc(C)cc1OC)C1CCCCCC1
InChIInChI=1S/C19H31NO/c1-5-20-19(16-10-8-6-7-9-11-16)18-15(3)12-14(2)13-17(18)21-4/h12-13,16,19-20H,5-11H2,1-4H3
InChIKeyMLFZZBKMYZYXRW-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[cyclopentyl-(2-methoxy-4,6-dimethylphenyl)methyl]hydrazine
CID 106682698
N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine
CID 106682226
1-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106680447
N-[2-bicyclo[2.2.1]heptanyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680892
N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 65018169
N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735
N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63503195
cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680816
N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 63508117
cyclopentyl-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679603
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanamine
CID 106682379

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine (CID 106680669) is N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine is CCNC(c1c(C)cc(C)cc1OC)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine?
The InChIKey is MLFZZBKMYZYXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-20-19(16-10-8-6-7-9-11-16)18-15(3)12-14(2)13-17(18)21-4/h12-13,16,19-20H,5-11H2,1-4H3.
What are the key properties of N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine?
N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 106680669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).