N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine

C16H22BrN — CID 114245867

IUPACN-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Br)c1)C1CC2CCC1C2
InChIInChI=1S/C16H22BrN/c1-2-18-16(13-4-3-5-14(17)10-13)15-9-11-6-7-12(15)8-11/h3-5,10-12,15-16,18H,2,6-9H2,1H3
InChIKeyFWAHOGKDTURYKC-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.54
Rot. Bonds4

About N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine

N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine (PubChem CID 114245867) has the molecular formula C16H22BrN and a molecular weight of 308.26 g/mol. Its IUPAC name is N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine
PubChem CID114245867
Molecular FormulaC16H22BrN
Molecular Weight308.26 g/mol
Exact Mass307.09
IUPAC NameN-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Br)c1)C1CC2CCC1C2
InChIInChI=1S/C16H22BrN/c1-2-18-16(13-4-3-5-14(17)10-13)15-9-11-6-7-12(15)8-11/h3-5,10-12,15-16,18H,2,6-9H2,1H3
InChIKeyFWAHOGKDTURYKC-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 63503340
N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 64739441
N-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine
CID 61365333
N-[2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61364743
N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102652139
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol
CID 79559401
N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114660353
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide
CID 43082122
N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 63021630
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine
CID 114246647
N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 114246866
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871004

Frequently Asked Questions

What is the IUPAC name of N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine?
The IUPAC name of N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine (CID 114245867) is N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine.
What is the SMILES notation for N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine?
The canonical SMILES for N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine is CCNC(c1cccc(Br)c1)C1CC2CCC1C2.
What is the InChIKey of N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine?
The InChIKey is FWAHOGKDTURYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN/c1-2-18-16(13-4-3-5-14(17)10-13)15-9-11-6-7-12(15)8-11/h3-5,10-12,15-16,18H,2,6-9H2,1H3.
What are the key properties of N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine?
N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine has a molecular weight of 308.26 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine is sourced from PubChem (CID 114245867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).