1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine

C16H26N2O — CID 115314814

IUPAC1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine
SMILESCc1ccc(C(C)N2CCOC(C(C)N)C2)cc1C
InChIInChI=1S/C16H26N2O/c1-11-5-6-15(9-12(11)2)14(4)18-7-8-19-16(10-18)13(3)17/h5-6,9,13-14,16H,7-8,10,17H2,1-4H3
InChIKeyFUBXJWRPWNATGM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.41
Rot. Bonds3

About 1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine

1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine (PubChem CID 115314814) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine
PubChem CID115314814
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine
SMILESCc1ccc(C(C)N2CCOC(C(C)N)C2)cc1C
InChIInChI=1S/C16H26N2O/c1-11-5-6-15(9-12(11)2)14(4)18-7-8-19-16(10-18)13(3)17/h5-6,9,13-14,16H,7-8,10,17H2,1-4H3
InChIKeyFUBXJWRPWNATGM-UHFFFAOYSA-N
XLogP2.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine
CID 115314847
[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine
CID 114397830
1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine
CID 115314948
4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline
CID 115314805
1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine
CID 81491606
1-[4-[1-(4-methylphenyl)propyl]morpholin-2-yl]ethanamine
CID 115314999
2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol
CID 115314817
2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663107
1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine
CID 65418520
2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol
CID 115314994
1-(4-pentan-3-ylmorpholin-2-yl)ethanamine
CID 115315016
[(3-fluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methyl]hydrazine
CID 107130834

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine (CID 115314814) is 1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine is Cc1ccc(C(C)N2CCOC(C(C)N)C2)cc1C.
What is the InChIKey of 1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine?
The InChIKey is FUBXJWRPWNATGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-5-6-15(9-12(11)2)14(4)18-7-8-19-16(10-18)13(3)17/h5-6,9,13-14,16H,7-8,10,17H2,1-4H3.
What are the key properties of 1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine?
1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 115314814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).