1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine

C16H24N2 — CID 63816691

IUPAC1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CC3CCC2C3)cc1
InChIInChI=1S/C16H24N2/c1-2-14(17)9-12-3-6-15(7-4-12)18-11-13-5-8-16(18)10-13/h3-4,6-7,13-14,16H,2,5,8-11,17H2,1H3
InChIKeyNIKFKZHJNGYPLA-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.96
Rot. Bonds4

About 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine

1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine (PubChem CID 63816691) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine
PubChem CID63816691
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CC3CCC2C3)cc1
InChIInChI=1S/C16H24N2/c1-2-14(17)9-12-3-6-15(7-4-12)18-11-13-5-8-16(18)10-13/h3-4,6-7,13-14,16H,2,5,8-11,17H2,1H3
InChIKeyNIKFKZHJNGYPLA-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.96
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
[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine
CID 55031754
(1R)-1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]propan-1-ol
CID 113355334
ethyl 4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]benzoate
CID 70672819
1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine
CID 54980919
1-[4-(1,3-dihydroisoindol-2-yl)phenyl]butan-2-amine
CID 63795022
1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine
CID 63794705
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxybenzenecarboximidamide
CID 54980529
1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3,5-difluorophenyl]propan-2-amine
CID 63816512
2-(4-nitrophenyl)-2-azabicyclo[2.2.1]heptane
CID 123155106
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine (CID 63816691) is 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine is CCC(N)Cc1ccc(N2CC3CCC2C3)cc1.
What is the InChIKey of 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine?
The InChIKey is NIKFKZHJNGYPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-14(17)9-12-3-6-15(7-4-12)18-11-13-5-8-16(18)10-13/h3-4,6-7,13-14,16H,2,5,8-11,17H2,1H3.
What are the key properties of 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine?
1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine is sourced from PubChem (CID 63816691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).