1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine

C15H21ClN2 — CID 55015049

IUPAC1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine
SMILESCC(N)C(c1ccc(Cl)cc1)N1CC2CCC1C2
InChIInChI=1S/C15H21ClN2/c1-10(17)15(12-3-5-13(16)6-4-12)18-9-11-2-7-14(18)8-11/h3-6,10-11,14-15H,2,7-9,17H2,1H3
InChIKeyYJIXUNUIAXLYSE-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.21
Rot. Bonds3

About 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine

1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine (PubChem CID 55015049) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine
PubChem CID55015049
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine
SMILESCC(N)C(c1ccc(Cl)cc1)N1CC2CCC1C2
InChIInChI=1S/C15H21ClN2/c1-10(17)15(12-3-5-13(16)6-4-12)18-9-11-2-7-14(18)8-11/h3-6,10-11,14-15H,2,7-9,17H2,1H3
InChIKeyYJIXUNUIAXLYSE-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-chlorophenyl)propan-2-amine
CID 55022515
1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine
CID 55020075
1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-bromophenyl)propan-2-amine
CID 55019679
1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine
CID 62330116
1-(4-chlorophenyl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79928366
1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol
CID 62942234
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-2-amine
CID 79916023
1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol
CID 102955977
1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55015385
2-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-one
CID 54980584
7-[2-amino-1-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095701
(1S)-1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine
CID 63368592

Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine?
The IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine (CID 55015049) is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine is CC(N)C(c1ccc(Cl)cc1)N1CC2CCC1C2.
What is the InChIKey of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine?
The InChIKey is YJIXUNUIAXLYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-10(17)15(12-3-5-13(16)6-4-12)18-9-11-2-7-14(18)8-11/h3-6,10-11,14-15H,2,7-9,17H2,1H3.
What are the key properties of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine?
1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine has a molecular weight of 264.80 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine is sourced from PubChem (CID 55015049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).