N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline

C15H20N4O — CID 60685164

IUPACN-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
SMILESCn1ccnc1CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H20N4O/c1-18-7-6-16-15(18)12-17-13-2-4-14(5-3-13)19-8-10-20-11-9-19/h2-7,17H,8-12H2,1H3
InChIKeyQRLGYYBBTDRKNW-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.87
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline

N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline (PubChem CID 60685164) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
PubChem CID60685164
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
SMILESCn1ccnc1CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H20N4O/c1-18-7-6-16-15(18)12-17-13-2-4-14(5-3-13)19-8-10-20-11-9-19/h2-7,17H,8-12H2,1H3
InChIKeyQRLGYYBBTDRKNW-UHFFFAOYSA-N
XLogP1.87
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.87
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-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-morpholin-4-ylaniline
CID 63172359
4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline
CID 63180269
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
4-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62351704
4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087956
1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol
CID 143391179
N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 43088095
4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685189
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
3-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62355871
N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline
CID 141322748
2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 60690893

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline (CID 60685164) is N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline is Cn1ccnc1CNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline?
The InChIKey is QRLGYYBBTDRKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-7-6-16-15(18)12-17-13-2-4-14(5-3-13)19-8-10-20-11-9-19/h2-7,17H,8-12H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline?
N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline has a molecular weight of 272.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline is sourced from PubChem (CID 60685164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).