N-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C18H27NO — CID 63422790

IUPACN-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCOc1ccc(C)cc1NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C18H27NO/c1-12-6-7-15(20-5)14(10-12)19-16-11-13-8-9-18(16,4)17(13,2)3/h6-7,10,13,16,19H,8-9,11H2,1-5H3
InChIKeySULGAKCBKBXZPV-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.63
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 63422790) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID63422790
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCOc1ccc(C)cc1NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C18H27NO/c1-12-6-7-15(20-5)14(10-12)19-16-11-13-8-9-18(16,4)17(13,2)3/h6-7,10,13,16,19H,8-9,11H2,1-5H3
InChIKeySULGAKCBKBXZPV-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63418869
N-(4-bromo-3-methoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 82857334
N-(2-bromo-4-chlorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 81264327
N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63421949
(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
CID 22629760
1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine
CID 80559082
4-methyl-2-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenol
CID 63427518
N-(2-methoxy-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872051
N-(2-methoxy-5-methylphenyl)oxolan-3-amine
CID 63331725
1-cyclopropyl-N-(2-methoxy-5-methylphenyl)pyrrolidin-3-amine
CID 55139647
2-chloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]benzonitrile
CID 63423457
methyl (E)-3-[3-methoxy-4-[2-oxo-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethoxy]phenyl]prop-2-enoate
CID 36927656

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 63422790) is N-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is COc1ccc(C)cc1NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is SULGAKCBKBXZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-12-6-7-15(20-5)14(10-12)19-16-11-13-8-9-18(16,4)17(13,2)3/h6-7,10,13,16,19H,8-9,11H2,1-5H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 63422790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).