1-[2-[2-(3-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine

C17H24BrNO — CID 63523064

IUPAC1-[2-[2-(3-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
SMILESCNCC1(CCOc2cccc(Br)c2)CC2CCC1C2
InChIInChI=1S/C17H24BrNO/c1-19-12-17(11-13-5-6-14(17)9-13)7-8-20-16-4-2-3-15(18)10-16/h2-4,10,13-14,19H,5-9,11-12H2,1H3
InChIKeyPSEBITGDNOFYRW-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.24
Rot. Bonds6

About 1-[2-[2-(3-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine

1-[2-[2-(3-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine (PubChem CID 63523064) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-[2-[2-(3-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[2-(3-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
PubChem CID63523064
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name1-[2-[2-(3-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
SMILESCNCC1(CCOc2cccc(Br)c2)CC2CCC1C2
InChIInChI=1S/C17H24BrNO/c1-19-12-17(11-13-5-6-14(17)9-13)7-8-20-16-4-2-3-15(18)10-16/h2-4,10,13-14,19H,5-9,11-12H2,1H3
InChIKeyPSEBITGDNOFYRW-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 66026056
N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine
CID 63522562
1-[2-(3-bromophenoxy)ethyl]-3-methylcyclopentane-1-carboxylic acid
CID 65402118
N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63521474
1-[2-[(2-chloro-4-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 106869493
3-[2-(3-bromophenoxy)ethyl]-3-propylazetidine
CID 79451126
N-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 114531410
1-[2-(3-bromophenoxy)ethyl]-3-ethylcyclopentane-1-carbonitrile
CID 65414927
2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine
CID 114099923
2-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]bicyclo[2.2.1]heptane
CID 66033287
1-[2-(3-bromophenoxy)ethyl]cyclooctan-1-amine
CID 80603583
1-[2-(3-bromophenoxy)ethyl]cyclohexan-1-amine
CID 28918025

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[2-(3-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine (CID 63523064) is 1-[2-[2-(3-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[2-(3-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[2-(3-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine is CNCC1(CCOc2cccc(Br)c2)CC2CCC1C2.
What is the InChIKey of 1-[2-[2-(3-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine?
The InChIKey is PSEBITGDNOFYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-19-12-17(11-13-5-6-14(17)9-13)7-8-20-16-4-2-3-15(18)10-16/h2-4,10,13-14,19H,5-9,11-12H2,1H3.
What are the key properties of 1-[2-[2-(3-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine?
1-[2-[2-(3-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine has a molecular weight of 338.29 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine is sourced from PubChem (CID 63523064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).