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

C19H29N — CID 63520937

IUPACN-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(C)c(C)c2)CC2CCC1C2
InChIInChI=1S/C19H29N/c1-4-20-13-19(12-17-7-8-18(19)10-17)11-16-6-5-14(2)15(3)9-16/h5-6,9,17-18,20H,4,7-8,10-13H2,1-3H3
InChIKeyCDCOUMIMPBFYGS-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.26
Rot. Bonds5

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

N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine (PubChem CID 63520937) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
PubChem CID63520937
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(C)c(C)c2)CC2CCC1C2
InChIInChI=1S/C19H29N/c1-4-20-13-19(12-17-7-8-18(19)10-17)11-16-6-5-14(2)15(3)9-16/h5-6,9,17-18,20H,4,7-8,10-13H2,1-3H3
InChIKeyCDCOUMIMPBFYGS-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63522350
N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine
CID 63521463
N-[[2-[(5-ethylthiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 63521635
N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methoxyethanamine
CID 63522562
2-(bromomethyl)-2-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane
CID 66049067
N-[[2-[(3-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63521649
N-[[2-[(2,6-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 114933522
N-[[2-[(4-bromothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63521459
N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
CID 63522034
5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene
CID 66050152
[2-[(3-bromo-4-methoxyphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 55106776
1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 55106783

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine (CID 63520937) is N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine is CCNCC1(Cc2ccc(C)c(C)c2)CC2CCC1C2.
What is the InChIKey of N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The InChIKey is CDCOUMIMPBFYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-4-20-13-19(12-17-7-8-18(19)10-17)11-16-6-5-14(2)15(3)9-16/h5-6,9,17-18,20H,4,7-8,10-13H2,1-3H3.
What are the key properties of N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine has a molecular weight of 271.45 g/mol, XLogP of 4.26, 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]ethanamine is sourced from PubChem (CID 63520937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).