1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine

C16H26N2O — CID 55237187

IUPAC1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine
SMILESCc1cc(N2CC(C)OCC2C)ccc1CC(C)N
InChIInChI=1S/C16H26N2O/c1-11-7-16(6-5-15(11)8-12(2)17)18-9-14(4)19-10-13(18)3/h5-7,12-14H,8-10,17H2,1-4H3
InChIKeySRAJZLVHMGWVQF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds3

About 1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine

1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine (PubChem CID 55237187) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine
PubChem CID55237187
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine
SMILESCc1cc(N2CC(C)OCC2C)ccc1CC(C)N
InChIInChI=1S/C16H26N2O/c1-11-7-16(6-5-15(11)8-12(2)17)18-9-14(4)19-10-13(18)3/h5-7,12-14H,8-10,17H2,1-4H3
InChIKeySRAJZLVHMGWVQF-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.50
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-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine
CID 114860620
1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methylphenyl]propan-2-amine
CID 63816721
1-[6-(2,5-dimethylmorpholin-4-yl)-3-pyridinyl]propan-2-amine
CID 80634198
1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
CID 103503923
1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine
CID 63787083
1-[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]propan-2-amine
CID 63817111
5-(2,5-dimethylmorpholin-4-yl)-2-[1-(ethylamino)ethyl]phenol
CID 79600512
4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline
CID 63671664
5-(2,5-dimethylmorpholin-4-yl)-2-nitroaniline
CID 106751450
2-bromo-4-(2,5-dimethylmorpholin-4-yl)benzenecarbothioamide
CID 107277380
1-[2-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
CID 55236036
1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine
CID 114860621

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine?
The IUPAC name of 1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine (CID 55237187) is 1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine is Cc1cc(N2CC(C)OCC2C)ccc1CC(C)N.
What is the InChIKey of 1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine?
The InChIKey is SRAJZLVHMGWVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-7-16(6-5-15(11)8-12(2)17)18-9-14(4)19-10-13(18)3/h5-7,12-14H,8-10,17H2,1-4H3.
What are the key properties of 1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine?
1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine is sourced from PubChem (CID 55237187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).