4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline

C17H21N3O — CID 63180016

IUPAC4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline
SMILESc1cc(CCNc2ccc(N3CCOCC3)cc2)ccn1
InChIInChI=1S/C17H21N3O/c1-3-17(20-11-13-21-14-12-20)4-2-16(1)19-10-7-15-5-8-18-9-6-15/h1-6,8-9,19H,7,10-14H2
InChIKeyRZQMJDQULSUYSN-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.57
Rot. Bonds5

About 4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline

4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 63180016) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline
PubChem CID63180016
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline
SMILESc1cc(CCNc2ccc(N3CCOCC3)cc2)ccn1
InChIInChI=1S/C17H21N3O/c1-3-17(20-11-13-21-14-12-20)4-2-16(1)19-10-7-15-5-8-18-9-6-15/h1-6,8-9,19H,7,10-14H2
InChIKeyRZQMJDQULSUYSN-UHFFFAOYSA-N
XLogP2.57
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline
CID 139019834
N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine
CID 107444694
N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline
CID 63180015
N-butyl-4-morpholin-4-ylaniline
CID 28675754
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
4-morpholin-4-yl-N-(2-propan-2-yloxyethyl)aniline
CID 55025471
6-morpholin-4-yl-N-(2-phenylethyl)pyridin-3-amine
CID 43724739
4-(4-pyridin-4-ylphenyl)morpholine
CID 91005781
4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline
CID 63180269
4-morpholin-4-yl-N-pent-4-ynylaniline
CID 113374169
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline (CID 63180016) is 4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline is c1cc(CCNc2ccc(N3CCOCC3)cc2)ccn1.
What is the InChIKey of 4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is RZQMJDQULSUYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-17(20-11-13-21-14-12-20)4-2-16(1)19-10-7-15-5-8-18-9-6-15/h1-6,8-9,19H,7,10-14H2.
What are the key properties of 4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline?
4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 283.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 63180016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).