N-methyl-2-[3-[2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)ethoxy]phenyl]ethanamine

C18H29N3O — CID 170714096

IUPACN-methyl-2-[3-[2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)ethoxy]phenyl]ethanamine
SMILESCNCCc1cccc(OCCN2CC3(CCN(C)C3)C2)c1
InChIInChI=1S/C18H29N3O/c1-19-8-6-16-4-3-5-17(12-16)22-11-10-21-14-18(15-21)7-9-20(2)13-18/h3-5,12,19H,6-11,13-15H2,1-2H3
InChIKeyDUFHUKUBBSKCKN-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.46
Rot. Bonds7

About N-methyl-2-[3-[2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)ethoxy]phenyl]ethanamine

N-methyl-2-[3-[2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)ethoxy]phenyl]ethanamine (PubChem CID 170714096) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-methyl-2-[3-[2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-[2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)ethoxy]phenyl]ethanamine
PubChem CID170714096
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-methyl-2-[3-[2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)ethoxy]phenyl]ethanamine
SMILESCNCCc1cccc(OCCN2CC3(CCN(C)C3)C2)c1
InChIInChI=1S/C18H29N3O/c1-19-8-6-16-4-3-5-17(12-16)22-11-10-21-14-18(15-21)7-9-20(2)13-18/h3-5,12,19H,6-11,13-15H2,1-2H3
InChIKeyDUFHUKUBBSKCKN-UHFFFAOYSA-N
XLogP1.46
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 170714078
1-[3-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62432960
ethane;N-methyl-2-(3-propylphenoxy)ethanamine
CID 142327682
1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62419745
1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 107395570
methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate
CID 59419918
2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906573
2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62438277
1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine
CID 64583405
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol
CID 153216457
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of N-methyl-2-[3-[2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)ethoxy]phenyl]ethanamine (CID 170714096) is N-methyl-2-[3-[2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[3-[2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[3-[2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)ethoxy]phenyl]ethanamine is CNCCc1cccc(OCCN2CC3(CCN(C)C3)C2)c1.
What is the InChIKey of N-methyl-2-[3-[2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)ethoxy]phenyl]ethanamine?
The InChIKey is DUFHUKUBBSKCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-19-8-6-16-4-3-5-17(12-16)22-11-10-21-14-18(15-21)7-9-20(2)13-18/h3-5,12,19H,6-11,13-15H2,1-2H3.
What are the key properties of N-methyl-2-[3-[2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)ethoxy]phenyl]ethanamine?
N-methyl-2-[3-[2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)ethoxy]phenyl]ethanamine has a molecular weight of 303.45 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[2-(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 170714096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).