3-(4-methylphenyl)-2-morpholin-4-ylbutan-1-amine

C15H24N2O — CID 82086961

IUPAC3-(4-methylphenyl)-2-morpholin-4-ylbutan-1-amine
SMILESCc1ccc(C(C)C(CN)N2CCOCC2)cc1
InChIInChI=1S/C15H24N2O/c1-12-3-5-14(6-4-12)13(2)15(11-16)17-7-9-18-10-8-17/h3-6,13,15H,7-11,16H2,1-2H3
InChIKeyRGKSRGAZEUEALM-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.76
Rot. Bonds4

About 3-(4-methylphenyl)-2-morpholin-4-ylbutan-1-amine

3-(4-methylphenyl)-2-morpholin-4-ylbutan-1-amine (PubChem CID 82086961) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-morpholin-4-ylbutan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-morpholin-4-ylbutan-1-amine
PubChem CID82086961
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(4-methylphenyl)-2-morpholin-4-ylbutan-1-amine
SMILESCc1ccc(C(C)C(CN)N2CCOCC2)cc1
InChIInChI=1S/C15H24N2O/c1-12-3-5-14(6-4-12)13(2)15(11-16)17-7-9-18-10-8-17/h3-6,13,15H,7-11,16H2,1-2H3
InChIKeyRGKSRGAZEUEALM-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-2-morpholin-4-ylbutan-1-amine
CID 82092700
(2S)-3-methyl-2-morpholin-4-ylbutan-1-amine
CID 51624538
2-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 82083200
3-(3,4-dimethylphenyl)-2-piperidin-1-ylbutan-1-amine
CID 82090320
4-(1-morpholin-4-ylethyl)aniline
CID 50987527
ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine
CID 143833538
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
1-(4-methylphenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 55153137
N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 54767410
4-(4-methylphenyl)-4-morpholin-4-ylbutan-2-one
CID 82130931
2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 61421182
1-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 62618530

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-morpholin-4-ylbutan-1-amine?
The IUPAC name of 3-(4-methylphenyl)-2-morpholin-4-ylbutan-1-amine (CID 82086961) is 3-(4-methylphenyl)-2-morpholin-4-ylbutan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)-2-morpholin-4-ylbutan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)-2-morpholin-4-ylbutan-1-amine is Cc1ccc(C(C)C(CN)N2CCOCC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-morpholin-4-ylbutan-1-amine?
The InChIKey is RGKSRGAZEUEALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-3-5-14(6-4-12)13(2)15(11-16)17-7-9-18-10-8-17/h3-6,13,15H,7-11,16H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-2-morpholin-4-ylbutan-1-amine?
3-(4-methylphenyl)-2-morpholin-4-ylbutan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 82086961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).