1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol

C14H20ClNO2 — CID 62628763

IUPAC1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
SMILESCC1COCCN1CCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-11-10-18-9-8-16(11)7-6-14(17)12-2-4-13(15)5-3-12/h2-5,11,14,17H,6-10H2,1H3
InChIKeyWZSIFCYUEZSTGJ-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.48
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol

1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol (PubChem CID 62628763) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
PubChem CID62628763
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
SMILESCC1COCCN1CCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-11-10-18-9-8-16(11)7-6-14(17)12-2-4-13(15)5-3-12/h2-5,11,14,17H,6-10H2,1H3
InChIKeyWZSIFCYUEZSTGJ-UHFFFAOYSA-N
XLogP2.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62643785
1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 55099044
1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
CID 114539808
1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
CID 62628976
1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol
CID 104960789
(3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine
CID 59376141
(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide
CID 129423990
1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62619080
3-morpholin-4-yl-1-(4-propan-2-ylphenyl)propan-1-ol
CID 82105505
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate
CID 63029800

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol (CID 62628763) is 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol is CC1COCCN1CCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol?
The InChIKey is WZSIFCYUEZSTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11-10-18-9-8-16(11)7-6-14(17)12-2-4-13(15)5-3-12/h2-5,11,14,17H,6-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol?
1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol has a molecular weight of 269.77 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol is sourced from PubChem (CID 62628763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).