3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline

C17H26N2O — CID 63687916

IUPAC3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline
SMILESCN(CCOc1cccc(N)c1)CC1CC2CCC1C2
InChIInChI=1S/C17H26N2O/c1-19(12-15-10-13-5-6-14(15)9-13)7-8-20-17-4-2-3-16(18)11-17/h2-4,11,13-15H,5-10,12,18H2,1H3
InChIKeyYZDQPMJUHNEXER-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.02
Rot. Bonds6

About 3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline

3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline (PubChem CID 63687916) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline.

Molecular Properties

Compound Name3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline
PubChem CID63687916
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline
SMILESCN(CCOc1cccc(N)c1)CC1CC2CCC1C2
InChIInChI=1S/C17H26N2O/c1-19(12-15-10-13-5-6-14(15)9-13)7-8-20-17-4-2-3-16(18)11-17/h2-4,11,13-15H,5-10,12,18H2,1H3
InChIKeyYZDQPMJUHNEXER-UHFFFAOYSA-N
XLogP3.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline
CID 79304456
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892118
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline
CID 55001379
3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline
CID 55002197
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine
CID 63684121
3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline
CID 43587259
3-[2-[cyclopropylmethyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 54884258
3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide
CID 61095641
3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline
CID 61413705
N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline
CID 62001427

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline?
The IUPAC name of 3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline (CID 63687916) is 3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline.
What is the SMILES notation for 3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline?
The canonical SMILES for 3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline is CN(CCOc1cccc(N)c1)CC1CC2CCC1C2.
What is the InChIKey of 3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline?
The InChIKey is YZDQPMJUHNEXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19(12-15-10-13-5-6-14(15)9-13)7-8-20-17-4-2-3-16(18)11-17/h2-4,11,13-15H,5-10,12,18H2,1H3.
What are the key properties of 3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline?
3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline has a molecular weight of 274.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline is sourced from PubChem (CID 63687916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).