N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine

C16H26N2O — CID 54767410

IUPACN,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(C(CCN(C)C)N2CCOCC2)cc1
InChIInChI=1S/C16H26N2O/c1-14-4-6-15(7-5-14)16(8-9-17(2)3)18-10-12-19-13-11-18/h4-7,16H,8-13H2,1-3H3
InChIKeyVQCUPTYEZOLTOL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.32
Rot. Bonds5

About N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine

N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine (PubChem CID 54767410) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
PubChem CID54767410
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(C(CCN(C)C)N2CCOCC2)cc1
InChIInChI=1S/C16H26N2O/c1-14-4-6-15(7-5-14)16(8-9-17(2)3)18-10-12-19-13-11-18/h4-7,16H,8-13H2,1-3H3
InChIKeyVQCUPTYEZOLTOL-UHFFFAOYSA-N
XLogP2.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54767240
4-(4-methylphenyl)-4-morpholin-4-ylbutan-2-one
CID 82130931
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
2-(dimethylamino)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-phenylacetamide
CID 110621774
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide
CID 112503641
4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride
CID 120564908
N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835185
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
CID 52984360
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 7644864
N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 18583629
1-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(4-fluorophenyl)piperidin-4-ol
CID 72949866

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine (CID 54767410) is N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine is Cc1ccc(C(CCN(C)C)N2CCOCC2)cc1.
What is the InChIKey of N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine?
The InChIKey is VQCUPTYEZOLTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-4-6-15(7-5-14)16(8-9-17(2)3)18-10-12-19-13-11-18/h4-7,16H,8-13H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine?
N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 54767410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).