4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine

C18H29NO2 — CID 170870505

IUPAC4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine
SMILESCCC(C)c1ccc(OC)c(CCCN2CCOCC2)c1
InChIInChI=1S/C18H29NO2/c1-4-15(2)16-7-8-18(20-3)17(14-16)6-5-9-19-10-12-21-13-11-19/h7-8,14-15H,4-6,9-13H2,1-3H3
InChIKeyHALMRYRXSMFRQJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.47
Rot. Bonds7

About 4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine

4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine (PubChem CID 170870505) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine
PubChem CID170870505
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine
SMILESCCC(C)c1ccc(OC)c(CCCN2CCOCC2)c1
InChIInChI=1S/C18H29NO2/c1-4-15(2)16-7-8-18(20-3)17(14-16)6-5-9-19-10-12-21-13-11-19/h7-8,14-15H,4-6,9-13H2,1-3H3
InChIKeyHALMRYRXSMFRQJ-UHFFFAOYSA-N
XLogP3.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine
CID 170869682
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717
1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
CID 170870625
N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline
CID 170869897
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine
CID 170870671
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862265
ethyl 2-hydroxy-2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]acetate
CID 117494133

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine?
The IUPAC name of 4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine (CID 170870505) is 4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine is CCC(C)c1ccc(OC)c(CCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine?
The InChIKey is HALMRYRXSMFRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-15(2)16-7-8-18(20-3)17(14-16)6-5-9-19-10-12-21-13-11-19/h7-8,14-15H,4-6,9-13H2,1-3H3.
What are the key properties of 4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine?
4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine has a molecular weight of 291.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine is sourced from PubChem (CID 170870505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).