1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine

C17H25N — CID 63689969

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine
SMILESCc1ccc(C)c(CNCC2CC3CCC2C3)c1
InChIInChI=1S/C17H25N/c1-12-3-4-13(2)16(7-12)10-18-11-17-9-14-5-6-15(17)8-14/h3-4,7,14-15,17-18H,5-6,8-11H2,1-2H3
InChIKeyQFHSGRITZWKLSN-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.83
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine (PubChem CID 63689969) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine
PubChem CID63689969
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine
SMILESCc1ccc(C)c(CNCC2CC3CCC2C3)c1
InChIInChI=1S/C17H25N/c1-12-3-4-13(2)16(7-12)10-18-11-17-9-14-5-6-15(17)8-14/h3-4,7,14-15,17-18H,5-6,8-11H2,1-2H3
InChIKeyQFHSGRITZWKLSN-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]methanamine
CID 62733927
4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213416
2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane
CID 55198191
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylbenzene-1,2-diamine
CID 63689970
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline
CID 79554507
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 11923511
3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol
CID 59549336
3-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-4-fluorobenzoic acid
CID 107452887
2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylamino]ethanethiol
CID 129374501
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275478
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-chloro-2-nitrophenyl)methyl]methanamine
CID 78998768
2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol
CID 62734100

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine (CID 63689969) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine is Cc1ccc(C)c(CNCC2CC3CCC2C3)c1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine?
The InChIKey is QFHSGRITZWKLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-12-3-4-13(2)16(7-12)10-18-11-17-9-14-5-6-15(17)8-14/h3-4,7,14-15,17-18H,5-6,8-11H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine has a molecular weight of 243.39 g/mol, XLogP of 3.83, 4 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)-N-[(2,5-dimethylphenyl)methyl]methanamine is sourced from PubChem (CID 63689969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).