1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine

C15H22N2 — CID 54980919

IUPAC1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(N2CC3CCC2C3)cc1
InChIInChI=1S/C15H22N2/c1-11(16-2)13-4-7-14(8-5-13)17-10-12-3-6-15(17)9-12/h4-5,7-8,11-12,15-16H,3,6,9-10H2,1-2H3
InChIKeyDFWPZNPGTNEZNR-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.96
Rot. Bonds3

About 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine

1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine (PubChem CID 54980919) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine
PubChem CID54980919
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(N2CC3CCC2C3)cc1
InChIInChI=1S/C15H22N2/c1-11(16-2)13-4-7-14(8-5-13)17-10-12-3-6-15(17)9-12/h4-5,7-8,11-12,15-16H,3,6,9-10H2,1-2H3
InChIKeyDFWPZNPGTNEZNR-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]ethanamine
CID 63368563
1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]propan-1-amine
CID 114066118
1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]butan-2-amine
CID 63816691
2-(4-nitrophenyl)-2-azabicyclo[2.2.1]heptane
CID 123155106
1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol
CID 43284297
N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 43283904
(1R,4S)-2-(4-pyrimidin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane
CID 70792646
(1R)-1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]propan-1-ol
CID 113355334
N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283919
N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine
CID 43586115
6-[4-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]anilino]-3-methyl-1,3-benzoxazol-2-one
CID 167300489
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxyaniline
CID 63678131

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine (CID 54980919) is 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine is CNC(C)c1ccc(N2CC3CCC2C3)cc1.
What is the InChIKey of 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine?
The InChIKey is DFWPZNPGTNEZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11(16-2)13-4-7-14(8-5-13)17-10-12-3-6-15(17)9-12/h4-5,7-8,11-12,15-16H,3,6,9-10H2,1-2H3.
What are the key properties of 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine?
1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine has a molecular weight of 230.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 54980919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).