1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine

C16H22ClN — CID 114246694

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(C)c1)C1CC2CCC1C2
InChIInChI=1S/C16H22ClN/c1-10-7-13(5-6-15(10)17)16(18-2)14-9-11-3-4-12(14)8-11/h5-7,11-12,14,16,18H,3-4,8-9H2,1-2H3
InChIKeyIZFQETFMABAFGX-UHFFFAOYSA-N
MW263.81 g/mol
LogP4.35
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine

1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine (PubChem CID 114246694) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine
PubChem CID114246694
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(C)c1)C1CC2CCC1C2
InChIInChI=1S/C16H22ClN/c1-10-7-13(5-6-15(10)17)16(18-2)14-9-11-3-4-12(14)8-11/h5-7,11-12,14,16,18H,3-4,8-9H2,1-2H3
InChIKeyIZFQETFMABAFGX-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 63502879
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine
CID 114246647
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 113383522
[2-bicyclo[2.2.1]heptanyl-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130879
1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114660339
N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 63503340
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromothiophen-2-yl)-N-methylmethanamine
CID 61363969
N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine
CID 114245867
2-bicyclo[2.2.1]heptanyl-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484426
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 43480253
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(4-chloro-3-methylphenoxy)butanamide
CID 98606543
1-(4-chloro-3-methylphenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017166

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine (CID 114246694) is 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine is CNC(c1ccc(Cl)c(C)c1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is IZFQETFMABAFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN/c1-10-7-13(5-6-15(10)17)16(18-2)14-9-11-3-4-12(14)8-11/h5-7,11-12,14,16,18H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine has a molecular weight of 263.81 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 114246694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).