N-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline

C16H22N4O — CID 66119111

IUPACN-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline
SMILESCn1cncc1CNc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C16H22N4O/c1-19-13-17-10-16(19)11-18-15-4-2-14(3-5-15)12-20-6-8-21-9-7-20/h2-5,10,13,18H,6-9,11-12H2,1H3
InChIKeyFRVIJBULKLSCMQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.86
Rot. Bonds5

About N-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline

N-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline (PubChem CID 66119111) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline
PubChem CID66119111
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline
SMILESCn1cncc1CNc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C16H22N4O/c1-19-13-17-10-16(19)11-18-15-4-2-14(3-5-15)12-20-6-8-21-9-7-20/h2-5,10,13,18H,6-9,11-12H2,1H3
InChIKeyFRVIJBULKLSCMQ-UHFFFAOYSA-N
XLogP1.86
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline (CID 66119111) is N-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline is Cn1cncc1CNc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline?
The InChIKey is FRVIJBULKLSCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19-13-17-10-16(19)11-18-15-4-2-14(3-5-15)12-20-6-8-21-9-7-20/h2-5,10,13,18H,6-9,11-12H2,1H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline?
N-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline has a molecular weight of 286.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-4-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 66119111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).