1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine

C19H29NO — CID 79562179

IUPAC1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(C)cc1OCC1CC2CCC1C2
InChIInChI=1S/C19H29NO/c1-4-20-14(3)18-8-5-13(2)9-19(18)21-12-17-11-15-6-7-16(17)10-15/h5,8-9,14-17,20H,4,6-7,10-12H2,1-3H3
InChIKeySUZOGJHWTSHBNK-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.48
Rot. Bonds6

About 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine

1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine (PubChem CID 79562179) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine
PubChem CID79562179
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(C)cc1OCC1CC2CCC1C2
InChIInChI=1S/C19H29NO/c1-4-20-14(3)18-8-5-13(2)9-19(18)21-12-17-11-15-6-7-16(17)10-15/h5,8-9,14-17,20H,4,6-7,10-12H2,1-3H3
InChIKeySUZOGJHWTSHBNK-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-ethoxypropoxy)-4-methylphenyl]-N-ethylethanamine
CID 65176576
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981
[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol
CID 79552519
N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine
CID 63640648
1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640644
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105012810
5-[[2-[1-(ethylamino)ethyl]-5-methylphenoxy]methyl]-1,3-oxazolidin-2-one
CID 63640817
N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 63641162
1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640993
N-ethyl-1-(4-methyl-2-phenylmethoxyphenyl)ethanamine
CID 63640314
N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine
CID 106722324
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792090

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine (CID 79562179) is 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine is CCNC(C)c1ccc(C)cc1OCC1CC2CCC1C2.
What is the InChIKey of 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine?
The InChIKey is SUZOGJHWTSHBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-20-14(3)18-8-5-13(2)9-19(18)21-12-17-11-15-6-7-16(17)10-15/h5,8-9,14-17,20H,4,6-7,10-12H2,1-3H3.
What are the key properties of 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine?
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine is sourced from PubChem (CID 79562179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).