N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline

C13H20N2O — CID 58543772

IUPACN,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
SMILESCN(C)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C13H20N2O/c1-14(2)13-5-3-4-12(10-13)11-15-6-8-16-9-7-15/h3-5,10H,6-9,11H2,1-2H3
InChIKeyWHVRIVOXKJDVTI-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.58
Rot. Bonds3

About N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline

N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline (PubChem CID 58543772) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
PubChem CID58543772
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
SMILESCN(C)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C13H20N2O/c1-14(2)13-5-3-4-12(10-13)11-15-6-8-16-9-7-15/h3-5,10H,6-9,11H2,1-2H3
InChIKeyWHVRIVOXKJDVTI-UHFFFAOYSA-N
XLogP1.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
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CID 15495103
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
(4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 95127758
[3-(morpholin-4-ylmethyl)phenyl]boronic acid
CID 11031409
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline
CID 110454866
N-[3-(dimethylamino)phenyl]-2-morpholin-4-ylacetamide
CID 110483400
4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine
CID 95894428
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
(1R)-2-[methyl-[[3-(morpholin-4-ylmethyl)phenyl]methyl]amino]-1-phenylethanol
CID 129457730

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline?
The IUPAC name of N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline (CID 58543772) is N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline is CN(C)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline?
The InChIKey is WHVRIVOXKJDVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14(2)13-5-3-4-12(10-13)11-15-6-8-16-9-7-15/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline?
N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline has a molecular weight of 220.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 58543772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).