N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine

C18H25ClN4O — CID 86795755

IUPACN-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
SMILESCc1cnn(CCNC(c2ccc(Cl)cc2)C2CN(C)CCO2)c1
InChIInChI=1S/C18H25ClN4O/c1-14-11-21-23(12-14)8-7-20-18(15-3-5-16(19)6-4-15)17-13-22(2)9-10-24-17/h3-6,11-12,17-18,20H,7-10,13H2,1-2H3
InChIKeyMKQWLEBRBCZPCY-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.51
Rot. Bonds6

About N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine

N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine (PubChem CID 86795755) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
PubChem CID86795755
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC NameN-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
SMILESCc1cnn(CCNC(c2ccc(Cl)cc2)C2CN(C)CCO2)c1
InChIInChI=1S/C18H25ClN4O/c1-14-11-21-23(12-14)8-7-20-18(15-3-5-16(19)6-4-15)17-13-22(2)9-10-24-17/h3-6,11-12,17-18,20H,7-10,13H2,1-2H3
InChIKeyMKQWLEBRBCZPCY-UHFFFAOYSA-N
XLogP2.51
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine 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-[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 99636385
N-[(1-ethylpyrazol-4-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093371
1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 75514588
N-[(4-methylmorpholin-2-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 79095155
(1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine
CID 124777264
(1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 97253369
N-[(4-methylmorpholin-2-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 79093764
N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092700
N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093467
N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093560
5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile
CID 124882189
N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092986

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine (CID 86795755) is N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine is Cc1cnn(CCNC(c2ccc(Cl)cc2)C2CN(C)CCO2)c1.
What is the InChIKey of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
The InChIKey is MKQWLEBRBCZPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-14-11-21-23(12-14)8-7-20-18(15-3-5-16(19)6-4-15)17-13-22(2)9-10-24-17/h3-6,11-12,17-18,20H,7-10,13H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine has a molecular weight of 348.88 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 86795755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).