N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine

C18H27NO — CID 63503340

IUPACN-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(C)c1)C1CC2CCC1C2
InChIInChI=1S/C18H27NO/c1-4-19-18(16-11-13-5-6-14(16)10-13)15-7-8-17(20-3)12(2)9-15/h7-9,13-14,16,18-19H,4-6,10-11H2,1-3H3
InChIKeyRFHYETWVAKIWHR-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.09
Rot. Bonds5

About N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine

N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine (PubChem CID 63503340) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine
PubChem CID63503340
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(C)c1)C1CC2CCC1C2
InChIInChI=1S/C18H27NO/c1-4-19-18(16-11-13-5-6-14(16)10-13)15-7-8-17(20-3)12(2)9-15/h7-9,13-14,16,18-19H,4-6,10-11H2,1-3H3
InChIKeyRFHYETWVAKIWHR-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine with MolForge

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Related Compounds

N-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 43493659
N-[2-bicyclo[2.2.1]heptanyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680892
N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine
CID 114245867
N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 114246866
N-[2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61364743
1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine
CID 114246694
2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine
CID 61364735
N-[(4-methoxy-3-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79759239
N-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine
CID 61365333
N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735
N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 63021630
N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102652139

Frequently Asked Questions

What is the IUPAC name of N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine (CID 63503340) is N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine is CCNC(c1ccc(OC)c(C)c1)C1CC2CCC1C2.
What is the InChIKey of N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine?
The InChIKey is RFHYETWVAKIWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-19-18(16-11-13-5-6-14(16)10-13)15-7-8-17(20-3)12(2)9-15/h7-9,13-14,16,18-19H,4-6,10-11H2,1-3H3.
What are the key properties of N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine?
N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 63503340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).