N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine

C16H26N2O — CID 115239044

IUPACN-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine
SMILESCc1cccc(CCN(C)CCC2COCCN2)c1
InChIInChI=1S/C16H26N2O/c1-14-4-3-5-15(12-14)6-9-18(2)10-7-16-13-19-11-8-17-16/h3-5,12,16-17H,6-11,13H2,1-2H3
InChIKeyBJXPPVAHRCSDLN-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.85
Rot. Bonds6

About N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine

N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine (PubChem CID 115239044) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine
PubChem CID115239044
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine
SMILESCc1cccc(CCN(C)CCC2COCCN2)c1
InChIInChI=1S/C16H26N2O/c1-14-4-3-5-15(12-14)6-9-18(2)10-7-16-13-19-11-8-17-16/h3-5,12,16-17H,6-11,13H2,1-2H3
InChIKeyBJXPPVAHRCSDLN-UHFFFAOYSA-N
XLogP1.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211204
N-methyl-2-morpholin-3-yl-N-(2-pyridin-3-ylethyl)ethanamine
CID 115239048
N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238968
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-3-ylethanamine
CID 115239045
2-(3-methoxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)ethanamine
CID 115238192
N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 115238990
3-(2-phenylethyl)morpholine
CID 54013840
N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline
CID 82290806
N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 115207950
N-(2-ethoxyethyl)-N-methyl-2-morpholin-3-ylethanamine
CID 81055134
3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine
CID 104704060
[methyl-[2-(3-methylphenyl)ethyl]amino]methanol
CID 115229547

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine?
The IUPAC name of N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine (CID 115239044) is N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine?
The canonical SMILES for N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine is Cc1cccc(CCN(C)CCC2COCCN2)c1.
What is the InChIKey of N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine?
The InChIKey is BJXPPVAHRCSDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-4-3-5-15(12-14)6-9-18(2)10-7-16-13-19-11-8-17-16/h3-5,12,16-17H,6-11,13H2,1-2H3.
What are the key properties of N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine?
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine has a molecular weight of 262.40 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine is sourced from PubChem (CID 115239044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).