N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine

C19H31NO — CID 65018169

IUPACN-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1OC)C1CCCCCCC1
InChIInChI=1S/C19H31NO/c1-4-20-19(16-10-8-6-5-7-9-11-16)17-14-15(2)12-13-18(17)21-3/h12-14,16,19-20H,4-11H2,1-3H3
InChIKeyKSVMVGVKEKRZMX-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.01
Rot. Bonds5

About N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine

N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine (PubChem CID 65018169) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
PubChem CID65018169
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1OC)C1CCCCCCC1
InChIInChI=1S/C19H31NO/c1-4-20-19(16-10-8-6-5-7-9-11-16)17-14-15(2)12-13-18(17)21-3/h12-14,16,19-20H,4-11H2,1-3H3
InChIKeyKSVMVGVKEKRZMX-UHFFFAOYSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 63011043
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527
N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 104988838
2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 114457630
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145
N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine
CID 105027710
2-cyclopentyl-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 82933827
N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine
CID 106792296
2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 79018516
N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735

Frequently Asked Questions

What is the IUPAC name of N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine (CID 65018169) is N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine is CCNC(c1cc(C)ccc1OC)C1CCCCCCC1.
What is the InChIKey of N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine?
The InChIKey is KSVMVGVKEKRZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-20-19(16-10-8-6-5-7-9-11-16)17-14-15(2)12-13-18(17)21-3/h12-14,16,19-20H,4-11H2,1-3H3.
What are the key properties of N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine?
N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 65018169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).