(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine

C14H19N — CID 124526666

IUPAC(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)cc1
InChIInChI=1S/C14H19N/c1-10-2-6-13(7-3-10)15-14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,14-15H,4-5,8-9H2,1H3/t11-,12-,14+/m0/s1
InChIKeyZMDAOFDCVYJFBF-SGMGOOAPSA-N
MW201.31 g/mol
LogP3.60
Rot. Bonds2

About (1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine

(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 124526666) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID124526666
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)cc1
InChIInChI=1S/C14H19N/c1-10-2-6-13(7-3-10)15-14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,14-15H,4-5,8-9H2,1H3/t11-,12-,14+/m0/s1
InChIKeyZMDAOFDCVYJFBF-SGMGOOAPSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309908
(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526652
N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310114
N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 62810365
N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310327
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 63421415
2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanenitrile
CID 61308022
N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55194098
5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione
CID 61310513
2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide
CID 75398577
N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63448629
N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine
CID 61308992

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine (CID 124526666) is (1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine is Cc1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)cc1.
What is the InChIKey of (1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is ZMDAOFDCVYJFBF-SGMGOOAPSA-N. The full InChI is InChI=1S/C14H19N/c1-10-2-6-13(7-3-10)15-14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,14-15H,4-5,8-9H2,1H3/t11-,12-,14+/m0/s1.
What are the key properties of (1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 201.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 124526666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).