N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine

C19H29N — CID 63521649

IUPACN-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCc1cccc(CC2(CNC(C)C)CC3CCC2C3)c1
InChIInChI=1S/C19H29N/c1-14(2)20-13-19(12-17-7-8-18(19)10-17)11-16-6-4-5-15(3)9-16/h4-6,9,14,17-18,20H,7-8,10-13H2,1-3H3
InChIKeyDAXBBXORMWFGRX-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.34
Rot. Bonds5

About N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine

N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (PubChem CID 63521649) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
PubChem CID63521649
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCc1cccc(CC2(CNC(C)C)CC3CCC2C3)c1
InChIInChI=1S/C19H29N/c1-14(2)20-13-19(12-17-7-8-18(19)10-17)11-16-6-4-5-15(3)9-16/h4-6,9,14,17-18,20H,7-8,10-13H2,1-3H3
InChIKeyDAXBBXORMWFGRX-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (CID 63521649) is N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is Cc1cccc(CC2(CNC(C)C)CC3CCC2C3)c1.
What is the InChIKey of N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The InChIKey is DAXBBXORMWFGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-14(2)20-13-19(12-17-7-8-18(19)10-17)11-16-6-4-5-15(3)9-16/h4-6,9,14,17-18,20H,7-8,10-13H2,1-3H3.
What are the key properties of N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine has a molecular weight of 271.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is sourced from PubChem (CID 63521649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).