3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-methylphenyl)propan-1-amine

C16H24N2 — CID 62617406

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(N)CCN2CC3CCC2C3)cc1
InChIInChI=1S/C16H24N2/c1-12-2-5-14(6-3-12)16(17)8-9-18-11-13-4-7-15(18)10-13/h2-3,5-6,13,15-16H,4,7-11,17H2,1H3
InChIKeyOXDWKABHYYZAAK-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.87
Rot. Bonds4

About 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-methylphenyl)propan-1-amine

3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-methylphenyl)propan-1-amine (PubChem CID 62617406) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-methylphenyl)propan-1-amine
PubChem CID62617406
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(N)CCN2CC3CCC2C3)cc1
InChIInChI=1S/C16H24N2/c1-12-2-5-14(6-3-12)16(17)8-9-18-11-13-4-7-15(18)10-13/h2-3,5-6,13,15-16H,4,7-11,17H2,1H3
InChIKeyOXDWKABHYYZAAK-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine
CID 62629948
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine
CID 62619810
1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]propan-1-amine
CID 114066118
2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine
CID 94247679
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(4-methylphenoxy)propan-2-ol
CID 110899985
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-amine
CID 62618231
3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62617209
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxybutan-1-amine
CID 103152342
1-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 62618530
3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-methylphenyl)propan-1-amine
CID 62618249
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol
CID 55098468
1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62778017

Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-methylphenyl)propan-1-amine (CID 62617406) is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-methylphenyl)propan-1-amine is Cc1ccc(C(N)CCN2CC3CCC2C3)cc1.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-methylphenyl)propan-1-amine?
The InChIKey is OXDWKABHYYZAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-2-5-14(6-3-12)16(17)8-9-18-11-13-4-7-15(18)10-13/h2-3,5-6,13,15-16H,4,7-11,17H2,1H3.
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-methylphenyl)propan-1-amine?
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-methylphenyl)propan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 62617406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).