1-(3-methylphenyl)-2-morpholin-3-ylethanamine

C13H20N2O — CID 116941527

IUPAC1-(3-methylphenyl)-2-morpholin-3-ylethanamine
SMILESCc1cccc(C(N)CC2COCCN2)c1
InChIInChI=1S/C13H20N2O/c1-10-3-2-4-11(7-10)13(14)8-12-9-16-6-5-15-12/h2-4,7,12-13,15H,5-6,8-9,14H2,1H3
InChIKeyVTCHFEWWOWOQHU-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.37
Rot. Bonds3

About 1-(3-methylphenyl)-2-morpholin-3-ylethanamine

1-(3-methylphenyl)-2-morpholin-3-ylethanamine (PubChem CID 116941527) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-morpholin-3-ylethanamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-morpholin-3-ylethanamine
PubChem CID116941527
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(3-methylphenyl)-2-morpholin-3-ylethanamine
SMILESCc1cccc(C(N)CC2COCCN2)c1
InChIInChI=1S/C13H20N2O/c1-10-3-2-4-11(7-10)13(14)8-12-9-16-6-5-15-12/h2-4,7,12-13,15H,5-6,8-9,14H2,1H3
InChIKeyVTCHFEWWOWOQHU-UHFFFAOYSA-N
XLogP1.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylphenyl)-2-morpholin-3-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-morpholin-3-yl-1-naphthalen-2-ylethanamine
CID 116941547
2-morpholin-3-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 116941456
1-(4-ethoxy-3-methylphenyl)-2-morpholin-3-ylethanamine
CID 116941494
1-(4-ethylphenyl)-2-morpholin-3-ylethanamine
CID 116941455
2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116941460
1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine
CID 116941475
2-morpholin-3-yl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 116941496
1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine
CID 116941514
1-(2-methyl-1H-indol-3-yl)-2-morpholin-3-ylethanamine
CID 116941500
N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82735457
1-(4-methoxy-2,3-dimethylphenyl)-2-morpholin-3-ylethanamine
CID 116941505
1-(2,5-dimethoxyphenyl)-2-morpholin-3-ylethanamine
CID 116941470

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-morpholin-3-ylethanamine?
The IUPAC name of 1-(3-methylphenyl)-2-morpholin-3-ylethanamine (CID 116941527) is 1-(3-methylphenyl)-2-morpholin-3-ylethanamine.
What is the SMILES notation for 1-(3-methylphenyl)-2-morpholin-3-ylethanamine?
The canonical SMILES for 1-(3-methylphenyl)-2-morpholin-3-ylethanamine is Cc1cccc(C(N)CC2COCCN2)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-morpholin-3-ylethanamine?
The InChIKey is VTCHFEWWOWOQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-3-2-4-11(7-10)13(14)8-12-9-16-6-5-15-12/h2-4,7,12-13,15H,5-6,8-9,14H2,1H3.
What are the key properties of 1-(3-methylphenyl)-2-morpholin-3-ylethanamine?
1-(3-methylphenyl)-2-morpholin-3-ylethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-morpholin-3-ylethanamine is sourced from PubChem (CID 116941527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).