(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine

C16H20BrN — CID 81382032

IUPAC(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine
SMILESC[C@@H](NCC1CC2C=CC1C2)c1cccc(Br)c1
InChIInChI=1S/C16H20BrN/c1-11(13-3-2-4-16(17)9-13)18-10-15-8-12-5-6-14(15)7-12/h2-6,9,11-12,14-15,18H,7-8,10H2,1H3/t11-,12?,14?,15?/m1/s1
InChIKeyJEZNSFRFBQSOGZ-VSROEWIGSA-N
MW306.25 g/mol
LogP4.31
Rot. Bonds4

About (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine

(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine (PubChem CID 81382032) has the molecular formula C16H20BrN and a molecular weight of 306.25 g/mol. Its IUPAC name is (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine
PubChem CID81382032
Molecular FormulaC16H20BrN
Molecular Weight306.25 g/mol
Exact Mass305.08
IUPAC Name(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine
SMILESC[C@@H](NCC1CC2C=CC1C2)c1cccc(Br)c1
InChIInChI=1S/C16H20BrN/c1-11(13-3-2-4-16(17)9-13)18-10-15-8-12-5-6-14(15)7-12/h2-6,9,11-12,14-15,18H,7-8,10H2,1H3/t11-,12?,14?,15?/m1/s1
InChIKeyJEZNSFRFBQSOGZ-VSROEWIGSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine
CID 43782351
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-bromoaniline
CID 43762851
(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371542
(1S)-1-(3-bromophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132275
(1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81382309
(1S)-1-(3-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81382312
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
(2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol
CID 103766373
(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 98487940
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272863
N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166809
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylpentan-2-amine
CID 43775722

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine?
The IUPAC name of (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine (CID 81382032) is (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine.
What is the SMILES notation for (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine?
The canonical SMILES for (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine is C[C@@H](NCC1CC2C=CC1C2)c1cccc(Br)c1.
What is the InChIKey of (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine?
The InChIKey is JEZNSFRFBQSOGZ-VSROEWIGSA-N. The full InChI is InChI=1S/C16H20BrN/c1-11(13-3-2-4-16(17)9-13)18-10-15-8-12-5-6-14(15)7-12/h2-6,9,11-12,14-15,18H,7-8,10H2,1H3/t11-,12?,14?,15?/m1/s1.
What are the key properties of (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine?
(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine has a molecular weight of 306.25 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine is sourced from PubChem (CID 81382032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).