(3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

C17H26N2O2 — CID 115998021

IUPAC(3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCOc1ccc(C(N)C2CC3CCC(C2)N3C)cc1OC
InChIInChI=1S/C17H26N2O2/c1-19-13-5-6-14(19)9-12(8-13)17(18)11-4-7-15(20-2)16(10-11)21-3/h4,7,10,12-14,17H,5-6,8-9,18H2,1-3H3
InChIKeyNVQDRLOXXATNJO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.58
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

(3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (PubChem CID 115998021) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
PubChem CID115998021
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCOc1ccc(C(N)C2CC3CCC(C2)N3C)cc1OC
InChIInChI=1S/C17H26N2O2/c1-19-13-5-6-14(19)9-12(8-13)17(18)11-4-7-15(20-2)16(10-11)21-3/h4,7,10,12-14,17H,5-6,8-9,18H2,1-3H3
InChIKeyNVQDRLOXXATNJO-UHFFFAOYSA-N
XLogP2.58
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine
CID 116937304
(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64739837
azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine
CID 116935281
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843
(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine
CID 61271784
2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115997961
2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine
CID 83155157
(2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998037
(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 171199341
[(4-chloro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265723
cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 82086619
2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine
CID 116723089

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The IUPAC name of (3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (CID 115998021) is (3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The canonical SMILES for (3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is COc1ccc(C(N)C2CC3CCC(C2)N3C)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The InChIKey is NVQDRLOXXATNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19-13-5-6-14(19)9-12(8-13)17(18)11-4-7-15(20-2)16(10-11)21-3/h4,7,10,12-14,17H,5-6,8-9,18H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
(3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine has a molecular weight of 290.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is sourced from PubChem (CID 115998021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).