N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline

C19H24N2O3 — CID 6492077

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline
SMILESCOc1ccc(CNc2ccc(N3CCOCC3)cc2)c(OC)c1
InChIInChI=1S/C19H24N2O3/c1-22-18-8-3-15(19(13-18)23-2)14-20-16-4-6-17(7-5-16)21-9-11-24-12-10-21/h3-8,13,20H,9-12,14H2,1-2H3
InChIKeyAVKSMYBMDQWLOW-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.15
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline

N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline (PubChem CID 6492077) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline
PubChem CID6492077
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline
SMILESCOc1ccc(CNc2ccc(N3CCOCC3)cc2)c(OC)c1
InChIInChI=1S/C19H24N2O3/c1-22-18-8-3-15(19(13-18)23-2)14-20-16-4-6-17(7-5-16)21-9-11-24-12-10-21/h3-8,13,20H,9-12,14H2,1-2H3
InChIKeyAVKSMYBMDQWLOW-UHFFFAOYSA-N
XLogP3.15
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride
CID 163329675
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
1-(3,5-dimethoxyphenyl)-3-[4-(3-methoxyphenoxy)-2-[(4-morpholin-4-ylanilino)methyl]phenoxy]urea
CID 137365213
4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 53146056
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 47030468
1-N-[(2,4-dimethoxyphenyl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 39456816
1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111297072
2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone
CID 60976756
4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200868
1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 6456141

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline (CID 6492077) is N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline is COc1ccc(CNc2ccc(N3CCOCC3)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline?
The InChIKey is AVKSMYBMDQWLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-22-18-8-3-15(19(13-18)23-2)14-20-16-4-6-17(7-5-16)21-9-11-24-12-10-21/h3-8,13,20H,9-12,14H2,1-2H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline?
N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline has a molecular weight of 328.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline is sourced from PubChem (CID 6492077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).