methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate

C14H22N2O2 — CID 66172279

IUPACmethyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate
SMILESCOC(=O)C(C)NCc1ccccc1CN(C)C
InChIInChI=1S/C14H22N2O2/c1-11(14(17)18-4)15-9-12-7-5-6-8-13(12)10-16(2)3/h5-8,11,15H,9-10H2,1-4H3
InChIKeyXDIBRUJTAZSQEM-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.40
Rot. Bonds6

About methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate

methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate (PubChem CID 66172279) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate
PubChem CID66172279
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namemethyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate
SMILESCOC(=O)C(C)NCc1ccccc1CN(C)C
InChIInChI=1S/C14H22N2O2/c1-11(14(17)18-4)15-9-12-7-5-6-8-13(12)10-16(2)3/h5-8,11,15H,9-10H2,1-4H3
InChIKeyXDIBRUJTAZSQEM-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
methyl 2-[(2-bromophenyl)methylamino]propanoate
CID 60691069
methyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate
CID 142473435
methyl (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]propanoate
CID 43786699
2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine
CID 103387459
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
methyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate
CID 19801625
ethyl 2-[(2-ethylphenyl)methylamino]propanoate
CID 62391416
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide
CID 55104517
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide
CID 65229042
ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate
CID 60668726

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate?
The IUPAC name of methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate (CID 66172279) is methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate.
What is the SMILES notation for methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate?
The canonical SMILES for methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate is COC(=O)C(C)NCc1ccccc1CN(C)C.
What is the InChIKey of methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate?
The InChIKey is XDIBRUJTAZSQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(14(17)18-4)15-9-12-7-5-6-8-13(12)10-16(2)3/h5-8,11,15H,9-10H2,1-4H3.
What are the key properties of methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate?
methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate has a molecular weight of 250.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate is sourced from PubChem (CID 66172279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).