(1S)-1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine

C14H20N2 — CID 63368563

IUPAC(1S)-1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(N2CC3CCC2C3)cc1
InChIInChI=1S/C14H20N2/c1-10(15)12-3-6-13(7-4-12)16-9-11-2-5-14(16)8-11/h3-4,6-7,10-11,14H,2,5,8-9,15H2,1H3/t10-,11?,14?/m0/s1
InChIKeyUUEFRSGIJWALJS-IFQILLTASA-N
MW216.33 g/mol
LogP2.69
Rot. Bonds2

About (1S)-1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine

(1S)-1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine (PubChem CID 63368563) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (1S)-1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine
PubChem CID63368563
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(1S)-1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(N2CC3CCC2C3)cc1
InChIInChI=1S/C14H20N2/c1-10(15)12-3-6-13(7-4-12)16-9-11-2-5-14(16)8-11/h3-4,6-7,10-11,14H,2,5,8-9,15H2,1H3/t10-,11?,14?/m0/s1
InChIKeyUUEFRSGIJWALJS-IFQILLTASA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]propan-1-amine
CID 114066118
1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine
CID 54980919
1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine
CID 63816691
[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine
CID 55031754
(1S)-1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine
CID 63368592
8-[4-[(1R)-1-aminoethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 78950772
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxybenzenecarboximidamide
CID 54980529
(1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 63369438
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxyaniline
CID 63678131
(1R,4S)-2-(4-pyrimidin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane
CID 70792646
(1R)-1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]propan-1-ol
CID 113355334
1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine
CID 55015049

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine (CID 63368563) is (1S)-1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine is C[C@H](N)c1ccc(N2CC3CCC2C3)cc1.
What is the InChIKey of (1S)-1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine?
The InChIKey is UUEFRSGIJWALJS-IFQILLTASA-N. The full InChI is InChI=1S/C14H20N2/c1-10(15)12-3-6-13(7-4-12)16-9-11-2-5-14(16)8-11/h3-4,6-7,10-11,14H,2,5,8-9,15H2,1H3/t10-,11?,14?/m0/s1.
What are the key properties of (1S)-1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine?
(1S)-1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine has a molecular weight of 216.33 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine is sourced from PubChem (CID 63368563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).