4-(4-tert-butyl-3-chlorophenyl)morpholine

C14H20ClNO — CID 58976543

IUPAC4-(4-tert-butyl-3-chlorophenyl)morpholine
SMILESCC(C)(C)c1ccc(N2CCOCC2)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-14(2,3)12-5-4-11(10-13(12)15)16-6-8-17-9-7-16/h4-5,10H,6-9H2,1-3H3
InChIKeyPEPQPAPIKDYMGQ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.47
Rot. Bonds1

About 4-(4-tert-butyl-3-chlorophenyl)morpholine

4-(4-tert-butyl-3-chlorophenyl)morpholine (PubChem CID 58976543) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-(4-tert-butyl-3-chlorophenyl)morpholine.

Molecular Properties

Compound Name4-(4-tert-butyl-3-chlorophenyl)morpholine
PubChem CID58976543
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-(4-tert-butyl-3-chlorophenyl)morpholine
SMILESCC(C)(C)c1ccc(N2CCOCC2)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-14(2,3)12-5-4-11(10-13(12)15)16-6-8-17-9-7-16/h4-5,10H,6-9H2,1-3H3
InChIKeyPEPQPAPIKDYMGQ-UHFFFAOYSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2,3-Dichlorophenyl)phenyl]morpholine
CID 46226403
2-Chloro-6-morpholin-4-ylbenzonitrile
CID 2804371
3-Chloro-4-((morpholin-4-yl)methyl)aniline
CID 28721838
4-(4-(Chloromethyl)phenyl)morpholine hydrochloride
CID 132342104
2-Chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile
CID 71996197
N-(4-t-Butylphenyl) Morpholine
CID 11106869
Benzonitrile, 2-chloro-5-fluoro-4-morpholin-4-yl-
CID 729490
4-((4-(3-Chloro-4-methylphenyl)piperazin-1-yl)sulfonyl)morpholine
CID 991662
4-(4-Ethylphenyl)morpholine
CID 20576442
4-(4-Butylphenyl)morpholine
CID 21696381
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 75520581
4-[4-(Chloromethyl)phenyl]morpholine
CID 28946202

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-3-chlorophenyl)morpholine?
The IUPAC name of 4-(4-tert-butyl-3-chlorophenyl)morpholine (CID 58976543) is 4-(4-tert-butyl-3-chlorophenyl)morpholine.
What is the SMILES notation for 4-(4-tert-butyl-3-chlorophenyl)morpholine?
The canonical SMILES for 4-(4-tert-butyl-3-chlorophenyl)morpholine is CC(C)(C)c1ccc(N2CCOCC2)cc1Cl.
What is the InChIKey of 4-(4-tert-butyl-3-chlorophenyl)morpholine?
The InChIKey is PEPQPAPIKDYMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-14(2,3)12-5-4-11(10-13(12)15)16-6-8-17-9-7-16/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 4-(4-tert-butyl-3-chlorophenyl)morpholine?
4-(4-tert-butyl-3-chlorophenyl)morpholine has a molecular weight of 253.77 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-3-chlorophenyl)morpholine is sourced from PubChem (CID 58976543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).