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

C14H19N — CID 124526668

IUPAC(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccccc1N[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C14H19N/c1-10-4-2-3-5-13(10)15-14-9-11-6-7-12(14)8-11/h2-5,11-12,14-15H,6-9H2,1H3/t11-,12-,14+/m0/s1
InChIKeyIXPHLXKNXZESEE-SGMGOOAPSA-N
MW201.31 g/mol
LogP3.60
Rot. Bonds2

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

(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 124526668) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID124526668
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccccc1N[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C14H19N/c1-10-4-2-3-5-13(10)15-14-9-11-6-7-12(14)8-11/h2-5,11-12,14-15H,6-9H2,1H3/t11-,12-,14+/m0/s1
InChIKeyIXPHLXKNXZESEE-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

1-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 61308054
2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine
CID 115550589
N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 54329909
ethyl 2-(2-bicyclo[2.2.1]heptanylamino)benzoate
CID 63423536
N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63426599
N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309908
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline
CID 79554012
N-(4-ethoxy-2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63451179
N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63451149
N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 63453271
N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55193292
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine (CID 124526668) is (1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine is Cc1ccccc1N[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is IXPHLXKNXZESEE-SGMGOOAPSA-N. The full InChI is InChI=1S/C14H19N/c1-10-4-2-3-5-13(10)15-14-9-11-6-7-12(14)8-11/h2-5,11-12,14-15H,6-9H2,1H3/t11-,12-,14+/m0/s1.
What are the key properties of (1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
(1S,2R,4S)-N-(2-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-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 124526668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).