(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-propan-2-ylphenyl)methanone

C18H25NO — CID 171947769

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-propan-2-ylphenyl)methanone
SMILESCC(C)c1cccc(C(=O)C2CC3CCC(C2)N3C)c1
InChIInChI=1S/C18H25NO/c1-12(2)13-5-4-6-14(9-13)18(20)15-10-16-7-8-17(11-15)19(16)3/h4-6,9,12,15-17H,7-8,10-11H2,1-3H3
InChIKeyVVOBVFSBMBVXPD-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.87
Rot. Bonds3

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-propan-2-ylphenyl)methanone

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-propan-2-ylphenyl)methanone (PubChem CID 171947769) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-propan-2-ylphenyl)methanone
PubChem CID171947769
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-propan-2-ylphenyl)methanone
SMILESCC(C)c1cccc(C(=O)C2CC3CCC(C2)N3C)c1
InChIInChI=1S/C18H25NO/c1-12(2)13-5-4-6-14(9-13)18(20)15-10-16-7-8-17(11-15)19(16)3/h4-6,9,12,15-17H,7-8,10-11H2,1-3H3
InChIKeyVVOBVFSBMBVXPD-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
CID 171945486
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3-propan-2-ylphenyl)methanone
CID 171947789
[4-(difluoromethyl)phenyl]-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171947669
[3-(difluoromethyl)phenyl]-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171947702
2-fluoro-5-(8-methyl-8-azabicyclo[3.2.1]octane-3-carbonyl)benzonitrile
CID 171946784
9H-fluoren-2-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171939300
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 171948261
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(4-propan-2-yloxyphenyl)methanone
CID 115997723
(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3-phenylphenyl)methanone
CID 171943315
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[3-methyl-4-(trifluoromethyl)phenyl]methanone
CID 171949885
(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 112680607
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone
CID 171947804

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-propan-2-ylphenyl)methanone?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-propan-2-ylphenyl)methanone (CID 171947769) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-propan-2-ylphenyl)methanone.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-propan-2-ylphenyl)methanone?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-propan-2-ylphenyl)methanone is CC(C)c1cccc(C(=O)C2CC3CCC(C2)N3C)c1.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-propan-2-ylphenyl)methanone?
The InChIKey is VVOBVFSBMBVXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-12(2)13-5-4-6-14(9-13)18(20)15-10-16-7-8-17(11-15)19(16)3/h4-6,9,12,15-17H,7-8,10-11H2,1-3H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-propan-2-ylphenyl)methanone?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-propan-2-ylphenyl)methanone has a molecular weight of 271.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-propan-2-ylphenyl)methanone is sourced from PubChem (CID 171947769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).