1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine

C16H21Cl2N — CID 55197369

IUPAC1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(Cl)cc2Cl)CC2CCC1C2
InChIInChI=1S/C16H21Cl2N/c1-19-10-16(8-11-2-4-13(16)6-11)9-12-3-5-14(17)7-15(12)18/h3,5,7,11,13,19H,2,4,6,8-10H2,1H3
InChIKeyYEHNHANYOYFBHX-UHFFFAOYSA-N
MW298.26 g/mol
LogP4.56
Rot. Bonds4

About 1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine

1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine (PubChem CID 55197369) has the molecular formula C16H21Cl2N and a molecular weight of 298.26 g/mol. Its IUPAC name is 1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
PubChem CID55197369
Molecular FormulaC16H21Cl2N
Molecular Weight298.26 g/mol
Exact Mass297.11
IUPAC Name1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(Cl)cc2Cl)CC2CCC1C2
InChIInChI=1S/C16H21Cl2N/c1-19-10-16(8-11-2-4-13(16)6-11)9-12-3-5-14(17)7-15(12)18/h3,5,7,11,13,19H,2,4,6,8-10H2,1H3
InChIKeyYEHNHANYOYFBHX-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(chloromethyl)-2-[(2,4-dichlorophenyl)methyl]bicyclo[2.2.1]heptane
CID 66033954
N-[[2-[(2-chloro-4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63522524
1-[2-[(5-fluoro-2-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 105374902
2-(chloromethyl)-2-[(2,5-dichlorophenyl)methyl]bicyclo[2.2.1]heptane
CID 66035522
N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 63520754
N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
CID 63522034
1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 55194513
1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 55106783
N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 115984206
1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 65154379
1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 79333265
1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64753224

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine (CID 55197369) is 1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine is CNCC1(Cc2ccc(Cl)cc2Cl)CC2CCC1C2.
What is the InChIKey of 1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine?
The InChIKey is YEHNHANYOYFBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N/c1-19-10-16(8-11-2-4-13(16)6-11)9-12-3-5-14(17)7-15(12)18/h3,5,7,11,13,19H,2,4,6,8-10H2,1H3.
What are the key properties of 1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine?
1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine has a molecular weight of 298.26 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine is sourced from PubChem (CID 55197369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).