1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine

C16H24N2 — CID 55020075

IUPAC1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(C(C(C)N)N2CC3CCC2C3)c1
InChIInChI=1S/C16H24N2/c1-11-4-3-5-14(8-11)16(12(2)17)18-10-13-6-7-15(18)9-13/h3-5,8,12-13,15-16H,6-7,9-10,17H2,1-2H3
InChIKeyBEHCXFJTDZXOHT-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.87
Rot. Bonds3

About 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine

1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine (PubChem CID 55020075) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine
PubChem CID55020075
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(C(C(C)N)N2CC3CCC2C3)c1
InChIInChI=1S/C16H24N2/c1-11-4-3-5-14(8-11)16(12(2)17)18-10-13-6-7-15(18)9-13/h3-5,8,12-13,15-16H,6-7,9-10,17H2,1-2H3
InChIKeyBEHCXFJTDZXOHT-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-bromophenyl)propan-2-amine
CID 55019679
1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine
CID 55015049
8-[2-amino-1-(3-methylphenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763409
1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-chlorophenyl)propan-2-amine
CID 55022515
1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 79188749
1-(3-ethylmorpholin-4-yl)-1-(3-methylphenyl)propan-2-amine
CID 55020122
1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83053735
1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 62937541
4-[2-amino-1-(3-methylphenyl)propyl]piperazine-2,6-dione
CID 66085437
(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489
1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol
CID 106667892
[4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol
CID 102932113

Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine (CID 55020075) is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine is Cc1cccc(C(C(C)N)N2CC3CCC2C3)c1.
What is the InChIKey of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine?
The InChIKey is BEHCXFJTDZXOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11-4-3-5-14(8-11)16(12(2)17)18-10-13-6-7-15(18)9-13/h3-5,8,12-13,15-16H,6-7,9-10,17H2,1-2H3.
What are the key properties of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine?
1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 2.87, 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-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 55020075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).