N-[3-(methylaminomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C16H22N2O — CID 43601787

IUPACN-[3-(methylaminomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCNCc1cccc(NC(=O)C2CC3CCC2C3)c1
InChIInChI=1S/C16H22N2O/c1-17-10-12-3-2-4-14(8-12)18-16(19)15-9-11-5-6-13(15)7-11/h2-4,8,11,13,15,17H,5-7,9-10H2,1H3,(H,18,19)
InChIKeyQEEXFULDSMEJAS-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.78
Rot. Bonds4

About N-[3-(methylaminomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[3-(methylaminomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 43601787) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[3-(methylaminomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methylaminomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID43601787
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[3-(methylaminomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCNCc1cccc(NC(=O)C2CC3CCC2C3)c1
InChIInChI=1S/C16H22N2O/c1-17-10-12-3-2-4-14(8-12)18-16(19)15-9-11-5-6-13(15)7-11/h2-4,8,11,13,15,17H,5-7,9-10H2,1H3,(H,18,19)
InChIKeyQEEXFULDSMEJAS-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(methylaminomethyl)phenyl]acetamide
CID 43601980
(1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878071
N-[3-(methylaminomethyl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119441053
N-[3-(3-aminoprop-1-ynyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60803415
ethyl 2-[3-[[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]phenoxy]acetate
CID 129377005
(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11905183
(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
(1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 51027350
N-[3-(methylaminomethyl)phenyl]-1,4-dioxane-2-carboxamide
CID 43662818
(1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 790200
(1S,2R,4S)-N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 6952943

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylaminomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[3-(methylaminomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 43601787) is N-[3-(methylaminomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[3-(methylaminomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[3-(methylaminomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is CNCc1cccc(NC(=O)C2CC3CCC2C3)c1.
What is the InChIKey of N-[3-(methylaminomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QEEXFULDSMEJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17-10-12-3-2-4-14(8-12)18-16(19)15-9-11-5-6-13(15)7-11/h2-4,8,11,13,15,17H,5-7,9-10H2,1H3,(H,18,19).
What are the key properties of N-[3-(methylaminomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[3-(methylaminomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylaminomethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 43601787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).