3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline

C16H26N2O — CID 20619663

IUPAC3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCC(C)(C)c1cccc(NCCN2CCOCC2)c1
InChIInChI=1S/C16H26N2O/c1-16(2,3)14-5-4-6-15(13-14)17-7-8-18-9-11-19-12-10-18/h4-6,13,17H,7-12H2,1-3H3
InChIKeyFBAGYYBCXJZFAZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.73
Rot. Bonds4

About 3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline

3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 20619663) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
PubChem CID20619663
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCC(C)(C)c1cccc(NCCN2CCOCC2)c1
InChIInChI=1S/C16H26N2O/c1-16(2,3)14-5-4-6-15(13-14)17-7-8-18-9-11-19-12-10-18/h4-6,13,17H,7-12H2,1-3H3
InChIKeyFBAGYYBCXJZFAZ-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 151335568
3-(2-morpholin-4-ylethylamino)benzonitrile
CID 28581021
N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline
CID 54807271
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 39420305
2-(3-tert-butylanilino)-1-morpholin-4-ylethanone
CID 59090711
3-hexoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806895
N-(2-morpholin-4-ylethyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108944086
4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 65437336
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 153298189

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline (CID 20619663) is 3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline is CC(C)(C)c1cccc(NCCN2CCOCC2)c1.
What is the InChIKey of 3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is FBAGYYBCXJZFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,3)14-5-4-6-15(13-14)17-7-8-18-9-11-19-12-10-18/h4-6,13,17H,7-12H2,1-3H3.
What are the key properties of 3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline?
3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 262.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 20619663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).