(1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine

C14H22N2O — CID 124563582

IUPAC(1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine
SMILESCC(C)[C@H](N)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)14(15)12-3-5-13(6-4-12)16-7-9-17-10-8-16/h3-6,11,14H,7-10,15H2,1-2H3/t14-/m0/s1
InChIKeyGGAIGNKYDVBTIS-AWEZNQCLSA-N
MW234.34 g/mol
LogP2.18
Rot. Bonds3

About (1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine

(1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine (PubChem CID 124563582) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine
PubChem CID124563582
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine
SMILESCC(C)[C@H](N)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)14(15)12-3-5-13(6-4-12)16-7-9-17-10-8-16/h3-6,11,14H,7-10,15H2,1-2H3/t14-/m0/s1
InChIKeyGGAIGNKYDVBTIS-AWEZNQCLSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 103693302
(1S,2R)-1-amino-3-methyl-1-(4-pyrrolidin-1-ylphenyl)butan-2-ol
CID 171272024
2-amino-2-(4-morpholin-4-ylphenyl)ethanethiol
CID 87683185
(1R)-1-[4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941068
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
4-(4-morpholin-4-ylphenyl)butan-2-amine
CID 23009589
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
methyl 2-hydroxy-2-(4-morpholin-4-ylphenyl)acetate
CID 117380930
propan-2-amine;4-(6-propan-2-yl-3-pyridinyl)morpholine
CID 172576033
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
4-morpholin-4-yl-2-propan-2-ylaniline
CID 91671939

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine (CID 124563582) is (1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine is CC(C)[C@H](N)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine?
The InChIKey is GGAIGNKYDVBTIS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)14(15)12-3-5-13(6-4-12)16-7-9-17-10-8-16/h3-6,11,14H,7-10,15H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine?
(1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine is sourced from PubChem (CID 124563582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).