2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline

C16H27N3O — CID 91873507

IUPAC2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline
SMILESCc1c(N)ccc(CNCCCN2CCOCC2)c1C
InChIInChI=1S/C16H27N3O/c1-13-14(2)16(17)5-4-15(13)12-18-6-3-7-19-8-10-20-11-9-19/h4-5,18H,3,6-12,17H2,1-2H3
InChIKeyVGCUITQESHUEOP-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.70
Rot. Bonds6

About 2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline

2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline (PubChem CID 91873507) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline
PubChem CID91873507
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline
SMILESCc1c(N)ccc(CNCCCN2CCOCC2)c1C
InChIInChI=1S/C16H27N3O/c1-13-14(2)16(17)5-4-15(13)12-18-6-3-7-19-8-10-20-11-9-19/h4-5,18H,3,6-12,17H2,1-2H3
InChIKeyVGCUITQESHUEOP-UHFFFAOYSA-N
XLogP1.70
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2224555
3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride
CID 6457021
N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 65316209
N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152140
N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 80707733
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 5167963
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 43182304
3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine
CID 23441207
5,8-dimethyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
CID 3169166
3-bromo-4-[(3-morpholin-4-ylpropylamino)methyl]benzoic acid
CID 103237317

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline?
The IUPAC name of 2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline (CID 91873507) is 2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline.
What is the SMILES notation for 2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline?
The canonical SMILES for 2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline is Cc1c(N)ccc(CNCCCN2CCOCC2)c1C.
What is the InChIKey of 2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline?
The InChIKey is VGCUITQESHUEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13-14(2)16(17)5-4-15(13)12-18-6-3-7-19-8-10-20-11-9-19/h4-5,18H,3,6-12,17H2,1-2H3.
What are the key properties of 2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline?
2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline has a molecular weight of 277.41 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline is sourced from PubChem (CID 91873507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).