N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine

C16H24N2 — CID 105364745

IUPACN-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCc1cccc([C@@H](C)NC2CCN3CCC2C3)c1
InChIInChI=1S/C16H24N2/c1-12-4-3-5-14(10-12)13(2)17-16-7-9-18-8-6-15(16)11-18/h3-5,10,13,15-17H,6-9,11H2,1-2H3/t13-,15?,16?/m1/s1
InChIKeyDRZUVBQWKWGBHH-IUDNXUCKSA-N
MW244.38 g/mol
LogP2.74
Rot. Bonds3

About N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364745) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364745
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCc1cccc([C@@H](C)NC2CCN3CCC2C3)c1
InChIInChI=1S/C16H24N2/c1-12-4-3-5-14(10-12)13(2)17-16-7-9-18-8-6-15(16)11-18/h3-5,10,13,15-17H,6-9,11H2,1-2H3/t13-,15?,16?/m1/s1
InChIKeyDRZUVBQWKWGBHH-IUDNXUCKSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364766
N-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 114985358
N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364354
N-[1-(4-methylsulfanylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364028
N-[1-(3-methoxyphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43195069
N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43195070
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81363310
3-[1-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]benzenesulfonamide
CID 43763469
1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81364151
N-(1-phenylpropyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364541
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]thian-3-amine
CID 81364140
1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81467257

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105364745) is N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine is Cc1cccc([C@@H](C)NC2CCN3CCC2C3)c1.
What is the InChIKey of N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is DRZUVBQWKWGBHH-IUDNXUCKSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-4-3-5-14(10-12)13(2)17-16-7-9-18-8-6-15(16)11-18/h3-5,10,13,15-17H,6-9,11H2,1-2H3/t13-,15?,16?/m1/s1.
What are the key properties of N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 244.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).