2-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromophenyl)propan-1-amine

C16H22BrN — CID 114246245

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromophenyl)propan-1-amine
SMILESNCC(Cc1ccccc1Br)C1CC2CCC1C2
InChIInChI=1S/C16H22BrN/c17-16-4-2-1-3-13(16)9-14(10-18)15-8-11-5-6-12(15)7-11/h1-4,11-12,14-15H,5-10,18H2
InChIKeyAQGYTXUBPRJICF-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.00
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromophenyl)propan-1-amine

2-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromophenyl)propan-1-amine (PubChem CID 114246245) has the molecular formula C16H22BrN and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromophenyl)propan-1-amine
PubChem CID114246245
Molecular FormulaC16H22BrN
Molecular Weight308.26 g/mol
Exact Mass307.09
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromophenyl)propan-1-amine
SMILESNCC(Cc1ccccc1Br)C1CC2CCC1C2
InChIInChI=1S/C16H22BrN/c17-16-4-2-1-3-13(16)9-14(10-18)15-8-11-5-6-12(15)7-11/h1-4,11-12,14-15H,5-10,18H2
InChIKeyAQGYTXUBPRJICF-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-bromophenyl)methyl]ethanamine
CID 129428903
1-(2-bicyclo[2.2.1]heptanyl)-2-naphthalen-1-ylethanamine
CID 63528750
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)ethanol
CID 63017529
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61365737
[1-(2-bicyclo[2.2.1]heptanyl)-2-phenylethyl]hydrazine
CID 105266574
1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-bromophenyl)methyl]piperazine
CID 98125128
[1-(2-bromophenyl)-3-chloropropan-2-yl]cycloheptane
CID 82945808
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-bromophenyl)urea
CID 98448632
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61365738
2-[1-bromo-3-(3-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane
CID 114246964
2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
CID 106930574
2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine
CID 84729687

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromophenyl)propan-1-amine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromophenyl)propan-1-amine (CID 114246245) is 2-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromophenyl)propan-1-amine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromophenyl)propan-1-amine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromophenyl)propan-1-amine is NCC(Cc1ccccc1Br)C1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromophenyl)propan-1-amine?
The InChIKey is AQGYTXUBPRJICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN/c17-16-4-2-1-3-13(16)9-14(10-18)15-8-11-5-6-12(15)7-11/h1-4,11-12,14-15H,5-10,18H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromophenyl)propan-1-amine?
2-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromophenyl)propan-1-amine has a molecular weight of 308.26 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-3-(2-bromophenyl)propan-1-amine is sourced from PubChem (CID 114246245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).