N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine

C20H31N — CID 63522350

IUPACN-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCc1ccc(CC2(CNC(C)C)CC3CCC2C3)cc1C
InChIInChI=1S/C20H31N/c1-14(2)21-13-20(12-18-7-8-19(20)10-18)11-17-6-5-15(3)16(4)9-17/h5-6,9,14,18-19,21H,7-8,10-13H2,1-4H3
InChIKeyNVFJODAEHQUQQE-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.65
Rot. Bonds5

About N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine

N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (PubChem CID 63522350) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
PubChem CID63522350
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCc1ccc(CC2(CNC(C)C)CC3CCC2C3)cc1C
InChIInChI=1S/C20H31N/c1-14(2)21-13-20(12-18-7-8-19(20)10-18)11-17-6-5-15(3)16(4)9-17/h5-6,9,14,18-19,21H,7-8,10-13H2,1-4H3
InChIKeyNVFJODAEHQUQQE-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63521649
N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 63520937
N-[[2-[(4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63521648
N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
CID 63521467
N-[[2-[(4-bromothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 55195272
N-[[2-[(2-chloro-4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63522524
N-[[2-(cyclopentylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63521466
N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194269
N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63522177
1-[2-[(5-fluoro-2-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 105374902
N-[[2-(2-methoxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 62723961
N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
CID 63522001

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (CID 63522350) is N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is Cc1ccc(CC2(CNC(C)C)CC3CCC2C3)cc1C.
What is the InChIKey of N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The InChIKey is NVFJODAEHQUQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-14(2)21-13-20(12-18-7-8-19(20)10-18)11-17-6-5-15(3)16(4)9-17/h5-6,9,14,18-19,21H,7-8,10-13H2,1-4H3.
What are the key properties of N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine has a molecular weight of 285.48 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is sourced from PubChem (CID 63522350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).