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

C15H24N2O — CID 114397830

IUPAC[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine
SMILESCc1ccc(C(C)N2CCOC(CN)C2)cc1C
InChIInChI=1S/C15H24N2O/c1-11-4-5-14(8-12(11)2)13(3)17-6-7-18-15(9-16)10-17/h4-5,8,13,15H,6-7,9-10,16H2,1-3H3
InChIKeyPFDGEJUMBSQYOJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.02
Rot. Bonds3

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

[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine (PubChem CID 114397830) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine
PubChem CID114397830
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine
SMILESCc1ccc(C(C)N2CCOC(CN)C2)cc1C
InChIInChI=1S/C15H24N2O/c1-11-4-5-14(8-12(11)2)13(3)17-6-7-18-15(9-16)10-17/h4-5,8,13,15H,6-7,9-10,16H2,1-3H3
InChIKeyPFDGEJUMBSQYOJ-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride
CID 85086626
1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine
CID 115314814
[4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine
CID 114394882
[(2R)-4-[(1R)-1-(4-propan-2-ylphenyl)ethyl]morpholin-2-yl]methanol
CID 99108798
[4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine
CID 114079708
1-[1-(3,4-dimethylphenyl)ethyl]-3-methylpiperazine
CID 65418520
[4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholin-2-yl]methanamine
CID 114397778
1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562594
[4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine
CID 61338959
2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid
CID 66434887
2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66433752
2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663107

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine (CID 114397830) is [4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine is Cc1ccc(C(C)N2CCOC(CN)C2)cc1C.
What is the InChIKey of [4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine?
The InChIKey is PFDGEJUMBSQYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-4-5-14(8-12(11)2)13(3)17-6-7-18-15(9-16)10-17/h4-5,8,13,15H,6-7,9-10,16H2,1-3H3.
What are the key properties of [4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine?
[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 114397830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).