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

C16H26N2O — CID 115239043

IUPACN-methyl-N-[2-(2-methylphenyl)ethyl]-2-morpholin-3-ylethanamine
SMILESCc1ccccc1CCN(C)CCC1COCCN1
InChIInChI=1S/C16H26N2O/c1-14-5-3-4-6-15(14)7-10-18(2)11-8-16-13-19-12-9-17-16/h3-6,16-17H,7-13H2,1-2H3
InChIKeyMSFOTJKYFTVHEB-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.85
Rot. Bonds6

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

N-methyl-N-[2-(2-methylphenyl)ethyl]-2-morpholin-3-ylethanamine (PubChem CID 115239043) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylphenyl)ethyl]-2-morpholin-3-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylphenyl)ethyl]-2-morpholin-3-ylethanamine
PubChem CID115239043
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-methyl-N-[2-(2-methylphenyl)ethyl]-2-morpholin-3-ylethanamine
SMILESCc1ccccc1CCN(C)CCC1COCCN1
InChIInChI=1S/C16H26N2O/c1-14-5-3-4-6-15(14)7-10-18(2)11-8-16-13-19-12-9-17-16/h3-6,16-17H,7-13H2,1-2H3
InChIKeyMSFOTJKYFTVHEB-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

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2-(Morpholin-4-yl)-2-phenylethan-1-amine
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Morpholine, 4-(1-methyl-3-phenylpropyl)-
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1-(Morpholin-4-yl)-1-phenylpropan-2-amine
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3-Benzylmorpholine
CID 3283983
(4-Benzylmorpholin-2-ylmethyl)methylamine
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Benzyl-(3-morpholin-4-yl-propyl)-amine
CID 206108
1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
CID 651922
N-[(2-methylphenyl)methyl]-N-(oxan-4-yl)pyrrolidin-3-amine
CID 127051504
US9670136, 25 4-morpholino-N-((trans)-2-phenylcyclopropyl)cyclohexanamine
CID 90395380

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylphenyl)ethyl]-2-morpholin-3-ylethanamine?
The IUPAC name of N-methyl-N-[2-(2-methylphenyl)ethyl]-2-morpholin-3-ylethanamine (CID 115239043) is N-methyl-N-[2-(2-methylphenyl)ethyl]-2-morpholin-3-ylethanamine.
What is the SMILES notation for N-methyl-N-[2-(2-methylphenyl)ethyl]-2-morpholin-3-ylethanamine?
The canonical SMILES for N-methyl-N-[2-(2-methylphenyl)ethyl]-2-morpholin-3-ylethanamine is Cc1ccccc1CCN(C)CCC1COCCN1.
What is the InChIKey of N-methyl-N-[2-(2-methylphenyl)ethyl]-2-morpholin-3-ylethanamine?
The InChIKey is MSFOTJKYFTVHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-5-3-4-6-15(14)7-10-18(2)11-8-16-13-19-12-9-17-16/h3-6,16-17H,7-13H2,1-2H3.
What are the key properties of N-methyl-N-[2-(2-methylphenyl)ethyl]-2-morpholin-3-ylethanamine?
N-methyl-N-[2-(2-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-(2-methylphenyl)ethyl]-2-morpholin-3-ylethanamine is sourced from PubChem (CID 115239043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).