1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine

C16H23NO — CID 114245402

IUPAC1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC2CC3CCC2C3)cc1
InChIInChI=1S/C16H23NO/c1-11(17-2)13-5-7-15(8-6-13)18-16-10-12-3-4-14(16)9-12/h5-8,11-12,14,16-17H,3-4,9-10H2,1-2H3
InChIKeyBSPACEPEHGANLA-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.53
Rot. Bonds4

About 1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine

1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine (PubChem CID 114245402) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine
PubChem CID114245402
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC2CC3CCC2C3)cc1
InChIInChI=1S/C16H23NO/c1-11(17-2)13-5-7-15(8-6-13)18-16-10-12-3-4-14(16)9-12/h5-8,11-12,14,16-17H,3-4,9-10H2,1-2H3
InChIKeyBSPACEPEHGANLA-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanol
CID 114245585
(1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine
CID 114245427
1-(4-cyclobutyloxyphenyl)-N-methylethanamine
CID 62139894
(1R)-1-(4-cyclopentyloxyphenyl)-N-methylethanamine
CID 93007238
N-[1-(4-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51292830
2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate
CID 150736064
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 63502879
N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61309333
(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane
CID 18556056
5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid
CID 114245371

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine (CID 114245402) is 1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(OC2CC3CCC2C3)cc1.
What is the InChIKey of 1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine?
The InChIKey is BSPACEPEHGANLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11(17-2)13-5-7-15(8-6-13)18-16-10-12-3-4-14(16)9-12/h5-8,11-12,14,16-17H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine?
1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine has a molecular weight of 245.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 114245402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).