(3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine

C14H21NO — CID 96844502

IUPAC(3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine
SMILESCc1ccc(C(C)C)cc1[C@H]1COCCN1
InChIInChI=1S/C14H21NO/c1-10(2)12-5-4-11(3)13(8-12)14-9-16-7-6-15-14/h4-5,8,10,14-15H,6-7,9H2,1-3H3/t14-/m1/s1
InChIKeyAEPXJQYYJXDSSJ-CQSZACIVSA-N
MW219.33 g/mol
LogP2.78
Rot. Bonds2

About (3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine

(3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine (PubChem CID 96844502) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine
PubChem CID96844502
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine
SMILESCc1ccc(C(C)C)cc1[C@H]1COCCN1
InChIInChI=1S/C14H21NO/c1-10(2)12-5-4-11(3)13(8-12)14-9-16-7-6-15-14/h4-5,8,10,14-15H,6-7,9H2,1-3H3/t14-/m1/s1
InChIKeyAEPXJQYYJXDSSJ-CQSZACIVSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(5-bromo-2-methylphenyl)morpholine
CID 130632472
3-(4-chloro-2,5-dimethylphenyl)morpholine
CID 84790642
(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
CID 171193047
4,4-difluoro-2-(2-methyl-5-propan-2-ylphenyl)pyrrolidine
CID 176665910
4-methyl-6-morpholin-3-ylbenzene-1,3-diol
CID 84780563
(3R)-3-(3-iodo-4-methylphenyl)morpholine
CID 131084695
3-(2,6-dimethylphenyl)morpholine
CID 55298000
(3S)-3-(2-bromo-4-methylphenyl)morpholine;hydrochloride
CID 171193090
2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1,3-oxazolidine
CID 82472471
3-(4-methoxy-3-propan-2-ylphenyl)morpholine
CID 82083415
(3R)-3-(2-tert-butylsulfanylphenyl)morpholine
CID 171192913
4-fluoro-2-methyl-6-[(3R)-morpholin-3-yl]phenol
CID 131254251

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine?
The IUPAC name of (3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine (CID 96844502) is (3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine.
What is the SMILES notation for (3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine?
The canonical SMILES for (3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine is Cc1ccc(C(C)C)cc1[C@H]1COCCN1.
What is the InChIKey of (3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine?
The InChIKey is AEPXJQYYJXDSSJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)12-5-4-11(3)13(8-12)14-9-16-7-6-15-14/h4-5,8,10,14-15H,6-7,9H2,1-3H3/t14-/m1/s1.
What are the key properties of (3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine?
(3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine has a molecular weight of 219.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-methyl-5-propan-2-ylphenyl)morpholine is sourced from PubChem (CID 96844502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).