N-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline

C16H25ClN2O2 — CID 59587703

IUPACN-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline
SMILESCC(C)(C)Nc1cc(OCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-16(2,3)18-15-12-13(4-5-14(15)17)21-11-8-19-6-9-20-10-7-19/h4-5,12,18H,6-11H2,1-3H3
InChIKeyYFWUXZKZKQGQIM-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.26
Rot. Bonds5

About N-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline

N-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline (PubChem CID 59587703) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline
PubChem CID59587703
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline
SMILESCC(C)(C)Nc1cc(OCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-16(2,3)18-15-12-13(4-5-14(15)17)21-11-8-19-6-9-20-10-7-19/h4-5,12,18H,6-11H2,1-3H3
InChIKeyYFWUXZKZKQGQIM-UHFFFAOYSA-N
XLogP3.26
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine
CID 59832136
2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline
CID 90993901
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine
CID 70920966
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-[4-[1-(4-chlorophenyl)ethyl]phenoxy]ethyl]morpholine
CID 58923289
4-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]morpholine
CID 69000749
4-[2-[(2-methyl-1-benzofuran-6-yl)oxy]ethyl]morpholine
CID 143026753
N-methylmethanamine;4-[2-[4-(2-methylpentan-2-yl)phenoxy]ethyl]morpholine
CID 142387605

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline?
The IUPAC name of N-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline (CID 59587703) is N-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline.
What is the SMILES notation for N-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline?
The canonical SMILES for N-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline is CC(C)(C)Nc1cc(OCCN2CCOCC2)ccc1Cl.
What is the InChIKey of N-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline?
The InChIKey is YFWUXZKZKQGQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-16(2,3)18-15-12-13(4-5-14(15)17)21-11-8-19-6-9-20-10-7-19/h4-5,12,18H,6-11H2,1-3H3.
What are the key properties of N-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline?
N-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline has a molecular weight of 312.84 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-5-(2-morpholin-4-ylethoxy)aniline is sourced from PubChem (CID 59587703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).