4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline

C16H27N3O — CID 16642854

IUPAC4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(CN)N2CCOCC2)cc1
InChIInChI=1S/C16H27N3O/c1-3-18(4-2)15-7-5-14(6-8-15)16(13-17)19-9-11-20-12-10-19/h5-8,16H,3-4,9-13,17H2,1-2H3
InChIKeyYFWUUOKFASOQJC-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.86
Rot. Bonds6

About 4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline

4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline (PubChem CID 16642854) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline
PubChem CID16642854
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(CN)N2CCOCC2)cc1
InChIInChI=1S/C16H27N3O/c1-3-18(4-2)15-7-5-14(6-8-15)16(13-17)19-9-11-20-12-10-19/h5-8,16H,3-4,9-13,17H2,1-2H3
InChIKeyYFWUUOKFASOQJC-UHFFFAOYSA-N
XLogP1.86
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid
CID 84751366
2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 55152004
2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine
CID 82041960
4-(2-amino-1-morpholin-4-ylethyl)benzene-1,2-diol
CID 16782087
(2R)-2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 30114876
2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine;oxalic acid
CID 171156320
4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline
CID 16642839
2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol
CID 112539444
2-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-ylethanamine
CID 43804461
2-(6-methoxynaphthalen-2-yl)-2-morpholin-4-ylethanamine
CID 16792697
2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)ethanamine
CID 16642933
2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 65021633

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline?
The IUPAC name of 4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline (CID 16642854) is 4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline.
What is the SMILES notation for 4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline?
The canonical SMILES for 4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline is CCN(CC)c1ccc(C(CN)N2CCOCC2)cc1.
What is the InChIKey of 4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline?
The InChIKey is YFWUUOKFASOQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-18(4-2)15-7-5-14(6-8-15)16(13-17)19-9-11-20-12-10-19/h5-8,16H,3-4,9-13,17H2,1-2H3.
What are the key properties of 4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline?
4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline has a molecular weight of 277.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline is sourced from PubChem (CID 16642854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).