N-[(3-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C18H27NO — CID 43220941

IUPACN-[(3-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCOc1cccc(CNC2CC3CCC2(C)C3(C)C)c1
InChIInChI=1S/C18H27NO/c1-17(2)14-8-9-18(17,3)16(11-14)19-12-13-6-5-7-15(10-13)20-4/h5-7,10,14,16,19H,8-9,11-12H2,1-4H3
InChIKeyUWYUZYVQCAQJFB-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.00
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-[(3-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 43220941) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID43220941
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[(3-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCOc1cccc(CNC2CC3CCC2(C)C3(C)C)c1
InChIInChI=1S/C18H27NO/c1-17(2)14-8-9-18(17,3)16(11-14)19-12-13-6-5-7-15(10-13)20-4/h5-7,10,14,16,19H,8-9,11-12H2,1-4H3
InChIKeyUWYUZYVQCAQJFB-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 43220941) is N-[(3-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is COc1cccc(CNC2CC3CCC2(C)C3(C)C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is UWYUZYVQCAQJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-17(2)14-8-9-18(17,3)16(11-14)19-12-13-6-5-7-15(10-13)20-4/h5-7,10,14,16,19H,8-9,11-12H2,1-4H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-[(3-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 43220941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).