N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine

C18H28N2 — CID 62122940

IUPACN-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(CNC(C)(C)C)ccc1N1CC2CCC1C2
InChIInChI=1S/C18H28N2/c1-13-9-14(11-19-18(2,3)4)6-8-17(13)20-12-15-5-7-16(20)10-15/h6,8-9,15-16,19H,5,7,10-12H2,1-4H3
InChIKeyQQZOIVNCWCYKFB-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.87
Rot. Bonds3

About N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine

N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 62122940) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
PubChem CID62122940
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(CNC(C)(C)C)ccc1N1CC2CCC1C2
InChIInChI=1S/C18H28N2/c1-13-9-14(11-19-18(2,3)4)6-8-17(13)20-12-15-5-7-16(20)10-15/h6,8-9,15-16,19H,5,7,10-12H2,1-4H3
InChIKeyQQZOIVNCWCYKFB-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63071669
N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 62435294
2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 62120673
2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 62120126
N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 64597182
N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 62489650
2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 62120829
[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine
CID 63087172
N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 62121366
[4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol
CID 81194556
N-[[3-chloro-4-(2,3-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 81143074
N-[(4-cyclopentylsulfanyl-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 55238887

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine (CID 62122940) is N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine is Cc1cc(CNC(C)(C)C)ccc1N1CC2CCC1C2.
What is the InChIKey of N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is QQZOIVNCWCYKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13-9-14(11-19-18(2,3)4)6-8-17(13)20-12-15-5-7-16(20)10-15/h6,8-9,15-16,19H,5,7,10-12H2,1-4H3.
What are the key properties of N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 272.44 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62122940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).