3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine

C20H31N — CID 79563380

IUPAC3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(C(CNC(C)C)CC2CC3CCC2C3)cc1
InChIInChI=1S/C20H31N/c1-14(2)21-13-20(17-7-4-15(3)5-8-17)12-19-11-16-6-9-18(19)10-16/h4-5,7-8,14,16,18-21H,6,9-13H2,1-3H3
InChIKeyDPLMVOBQOPYCEU-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.90
Rot. Bonds6

About 3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine

3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 79563380) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
PubChem CID79563380
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCc1ccc(C(CNC(C)C)CC2CC3CCC2C3)cc1
InChIInChI=1S/C20H31N/c1-14(2)21-13-20(17-7-4-15(3)5-8-17)12-19-11-16-6-9-18(19)10-16/h4-5,7-8,14,16,18-21H,6,9-13H2,1-3H3
InChIKeyDPLMVOBQOPYCEU-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine (CID 79563380) is 3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine is Cc1ccc(C(CNC(C)C)CC2CC3CCC2C3)cc1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is DPLMVOBQOPYCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-14(2)21-13-20(17-7-4-15(3)5-8-17)12-19-11-16-6-9-18(19)10-16/h4-5,7-8,14,16,18-21H,6,9-13H2,1-3H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine?
3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 285.48 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79563380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).