(2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine

C15H21N — CID 102451232

IUPAC(2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESc1ccc(CCN[C@@H]2CC3CCC2C3)cc1
InChIInChI=1S/C15H21N/c1-2-4-12(5-3-1)8-9-16-15-11-13-6-7-14(15)10-13/h1-5,13-16H,6-11H2/t13?,14?,15-/m1/s1
InChIKeyUOJWJKSWEPSVQD-YMAMQOFZSA-N
MW215.34 g/mol
LogP3.01
Rot. Bonds4

About (2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine

(2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 102451232) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID102451232
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESc1ccc(CCN[C@@H]2CC3CCC2C3)cc1
InChIInChI=1S/C15H21N/c1-2-4-12(5-3-1)8-9-16-15-11-13-6-7-14(15)10-13/h1-5,13-16H,6-11H2/t13?,14?,15-/m1/s1
InChIKeyUOJWJKSWEPSVQD-YMAMQOFZSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 59101629
N-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61309344
(1R,2S,4S)-N-[2-(4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 784416
N'-benzyl-N-(2-bicyclo[2.2.1]heptanyl)-N'-methylpropane-1,3-diamine
CID 61308766
(1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 11904832
N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine
CID 3006127
N'-(2-bicyclo[2.2.1]heptanyl)-N-(3,3-diphenylpropyl)ethane-1,2-diamine
CID 504262
(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine
CID 43178312
3-cyclopropyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 64595027
N-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222656
(1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 98111949

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine (CID 102451232) is (2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine is c1ccc(CCN[C@@H]2CC3CCC2C3)cc1.
What is the InChIKey of (2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is UOJWJKSWEPSVQD-YMAMQOFZSA-N. The full InChI is InChI=1S/C15H21N/c1-2-4-12(5-3-1)8-9-16-15-11-13-6-7-14(15)10-13/h1-5,13-16H,6-11H2/t13?,14?,15-/m1/s1.
What are the key properties of (2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine?
(2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 102451232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).