(1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

C17H24ClN — CID 50937998

IUPAC(1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
SMILESCC1(C)C[C@@H]2C[C@](C)(CN2Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClN/c1-16(2)8-15-9-17(3,11-16)12-19(15)10-13-4-6-14(18)7-5-13/h4-7,15H,8-12H2,1-3H3/t15-,17+/m1/s1
InChIKeyMQDQZJUGDQLEDM-WBVHZDCISA-N
MW277.84 g/mol
LogP4.74
Rot. Bonds2

About (1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

(1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane (PubChem CID 50937998) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is (1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
PubChem CID50937998
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC Name(1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
SMILESCC1(C)C[C@@H]2C[C@](C)(CN2Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClN/c1-16(2)8-15-9-17(3,11-16)12-19(15)10-13-4-6-14(18)7-5-13/h4-7,15H,8-12H2,1-3H3/t15-,17+/m1/s1
InChIKeyMQDQZJUGDQLEDM-WBVHZDCISA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

(1S,5S)-1,3,3-trimethyl-6-[(4-nitrophenyl)methyl]-6-azabicyclo[3.2.1]octane
CID 98108756
6-[(4-methoxy-3-methylphenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 2845718
6-[(4-chlorophenyl)methylsulfonyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 25191329
(1S,5S)-1,3,3-trimethyl-6-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-6-azabicyclo[3.2.1]octane
CID 98126003
[2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenyl]methanamine
CID 82135544
9-ethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]carbazole
CID 7012437
6-chloro-2-methyl-3-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one
CID 98089157
(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
CID 98671631
(4-chlorophenyl)-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 98157724
(1S,5R)-6-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 77086156
2-(2,4-dichlorophenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 110311776
5-methyl-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]furan-2-carboxylic acid
CID 20991300

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane (CID 50937998) is (1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane is CC1(C)C[C@@H]2C[C@](C)(CN2Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
The InChIKey is MQDQZJUGDQLEDM-WBVHZDCISA-N. The full InChI is InChI=1S/C17H24ClN/c1-16(2)8-15-9-17(3,11-16)12-19(15)10-13-4-6-14(18)7-5-13/h4-7,15H,8-12H2,1-3H3/t15-,17+/m1/s1.
What are the key properties of (1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
(1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane has a molecular weight of 277.84 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 50937998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).