[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]methanamine

C14H22N2O — CID 62135733

IUPAC[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]methanamine
SMILESCc1cc(N2CCOCC2(C)C)ccc1CN
InChIInChI=1S/C14H22N2O/c1-11-8-13(5-4-12(11)9-15)16-6-7-17-10-14(16,2)3/h4-5,8H,6-7,9-10,15H2,1-3H3
InChIKeyVCJQGXGOWPNQKL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.07
Rot. Bonds2

About [4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]methanamine

[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]methanamine (PubChem CID 62135733) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]methanamine
PubChem CID62135733
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]methanamine
SMILESCc1cc(N2CCOCC2(C)C)ccc1CN
InChIInChI=1S/C14H22N2O/c1-11-8-13(5-4-12(11)9-15)16-6-7-17-10-14(16,2)3/h4-5,8H,6-7,9-10,15H2,1-3H3
InChIKeyVCJQGXGOWPNQKL-UHFFFAOYSA-N
XLogP2.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]ethanamine
CID 63786701
1-[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]-N-methylmethanamine
CID 62135734
5-(3,3-dimethylmorpholin-4-yl)-2-methylaniline
CID 62912142
2-[2-amino-5-(3,3-dimethylmorpholin-4-yl)phenyl]acetonitrile
CID 102624003
[2-(3,3-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
CID 61433103
4-[4-(chloromethyl)phenyl]-3,3-dimethylmorpholine
CID 61432795
(1R)-1-[4-(3,3-dimethylmorpholin-4-yl)phenyl]ethanamine
CID 78934940
[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanamine
CID 62135177
[4-(3,3-difluoropyrrolidin-1-yl)-2-methylphenyl]methanamine
CID 169489232
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308
4-[3-bromo-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 163692702
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide
CID 110637672

Frequently Asked Questions

What is the IUPAC name of [4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]methanamine?
The IUPAC name of [4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]methanamine (CID 62135733) is [4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]methanamine.
What is the SMILES notation for [4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]methanamine?
The canonical SMILES for [4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]methanamine is Cc1cc(N2CCOCC2(C)C)ccc1CN.
What is the InChIKey of [4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]methanamine?
The InChIKey is VCJQGXGOWPNQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-8-13(5-4-12(11)9-15)16-6-7-17-10-14(16,2)3/h4-5,8H,6-7,9-10,15H2,1-3H3.
What are the key properties of [4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]methanamine?
[4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]methanamine has a molecular weight of 234.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-dimethylmorpholin-4-yl)-2-methylphenyl]methanamine is sourced from PubChem (CID 62135733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).