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

C14H22N2O — CID 115238968

IUPACN-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine
SMILESCc1cccc(CNCCC2COCCN2)c1
InChIInChI=1S/C14H22N2O/c1-12-3-2-4-13(9-12)10-15-6-5-14-11-17-8-7-16-14/h2-4,9,14-16H,5-8,10-11H2,1H3
InChIKeyPVVSBOLUZWLXSE-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.46
Rot. Bonds5

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

N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine (PubChem CID 115238968) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine
PubChem CID115238968
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine
SMILESCc1cccc(CNCCC2COCCN2)c1
InChIInChI=1S/C14H22N2O/c1-12-3-2-4-13(9-12)10-15-6-5-14-11-17-8-7-16-14/h2-4,9,14-16H,5-8,10-11H2,1H3
InChIKeyPVVSBOLUZWLXSE-UHFFFAOYSA-N
XLogP1.46
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3-methylphenyl)methyl]-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

N-[(4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238941
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine
CID 115239044
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238945
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine
CID 115238964
N-[(4-methylnaphthalen-1-yl)methyl]-2-morpholin-3-ylethanamine
CID 130392636
N-[(3-methylphenyl)methyl]-2-morpholin-2-ylethanamine
CID 115239213
N-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238972
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238155
3-(2-phenylethyl)morpholine
CID 54013840
2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62314981
2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238123

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine (CID 115238968) is N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine is Cc1cccc(CNCCC2COCCN2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine?
The InChIKey is PVVSBOLUZWLXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-3-2-4-13(9-12)10-15-6-5-14-11-17-8-7-16-14/h2-4,9,14-16H,5-8,10-11H2,1H3.
What are the key properties of N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine?
N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine is sourced from PubChem (CID 115238968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).