2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine

C18H30N2O — CID 115463705

IUPAC2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine
SMILESCC(C)CNCCc1ccccc1CN1CCOCC1C
InChIInChI=1S/C18H30N2O/c1-15(2)12-19-9-8-17-6-4-5-7-18(17)13-20-10-11-21-14-16(20)3/h4-7,15-16,19H,8-14H2,1-3H3
InChIKeyYYHAFLKJKDKUQL-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.70
Rot. Bonds7

About 2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine

2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine (PubChem CID 115463705) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine
PubChem CID115463705
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine
SMILESCC(C)CNCCc1ccccc1CN1CCOCC1C
InChIInChI=1S/C18H30N2O/c1-15(2)12-19-9-8-17-6-4-5-7-18(17)13-20-10-11-21-14-16(20)3/h4-7,15-16,19H,8-14H2,1-3H3
InChIKeyYYHAFLKJKDKUQL-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine 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-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine
CID 62422688
2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine
CID 115463424
N-[[2-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62432447
2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine
CID 115464442
N-[2-[2-[(3-methylthiomorpholin-4-yl)methyl]phenyl]ethyl]propan-2-amine
CID 115464140
(3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine
CID 59376141
N-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 43542425
N-methyl-1-[3-[(3-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine
CID 62422863
2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 104546902
4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098587
[4-[(3-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008118
4-[(3-methylmorpholin-4-yl)methyl]phenol
CID 82972800

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine (CID 115463705) is 2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine is CC(C)CNCCc1ccccc1CN1CCOCC1C.
What is the InChIKey of 2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine?
The InChIKey is YYHAFLKJKDKUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)12-19-9-8-17-6-4-5-7-18(17)13-20-10-11-21-14-16(20)3/h4-7,15-16,19H,8-14H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine?
2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 115463705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).