4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline

C15H22N2 — CID 68510516

IUPAC4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline
SMILESNc1ccc(CC(N)[C@H]2CC3CCC2C3)cc1
InChIInChI=1S/C15H22N2/c16-13-5-2-10(3-6-13)9-15(17)14-8-11-1-4-12(14)7-11/h2-3,5-6,11-12,14-15H,1,4,7-9,16-17H2/t11?,12?,14-,15?/m0/s1
InChIKeyXKVNMXBZYUTEEH-LGJUIHJDSA-N
MW230.36 g/mol
LogP2.57
Rot. Bonds3

About 4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline

4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline (PubChem CID 68510516) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline.

Molecular Properties

Compound Name4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline
PubChem CID68510516
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline
SMILESNc1ccc(CC(N)[C@H]2CC3CCC2C3)cc1
InChIInChI=1S/C15H22N2/c16-13-5-2-10(3-6-13)9-15(17)14-8-11-1-4-12(14)7-11/h2-3,5-6,11-12,14-15H,1,4,7-9,16-17H2/t11?,12?,14-,15?/m0/s1
InChIKeyXKVNMXBZYUTEEH-LGJUIHJDSA-N
XLogP2.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline?
The IUPAC name of 4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline (CID 68510516) is 4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline.
What is the SMILES notation for 4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline?
The canonical SMILES for 4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline is Nc1ccc(CC(N)[C@H]2CC3CCC2C3)cc1.
What is the InChIKey of 4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline?
The InChIKey is XKVNMXBZYUTEEH-LGJUIHJDSA-N. The full InChI is InChI=1S/C15H22N2/c16-13-5-2-10(3-6-13)9-15(17)14-8-11-1-4-12(14)7-11/h2-3,5-6,11-12,14-15H,1,4,7-9,16-17H2/t11?,12?,14-,15?/m0/s1.
What are the key properties of 4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline?
4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline has a molecular weight of 230.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline is sourced from PubChem (CID 68510516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).