methyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate

C16H24N2O3 — CID 59230168

IUPACmethyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NCC2CCC(N)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-20-16(19)11-21-15-4-2-3-14(9-15)18-10-12-5-7-13(17)8-6-12/h2-4,9,12-13,18H,5-8,10-11,17H2,1H3
InChIKeyXAGVQJVYDPZYLG-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.17
Rot. Bonds6

About methyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate

methyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate (PubChem CID 59230168) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate
PubChem CID59230168
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NCC2CCC(N)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-20-16(19)11-21-15-4-2-3-14(9-15)18-10-12-5-7-13(17)8-6-12/h2-4,9,12-13,18H,5-8,10-11,17H2,1H3
InChIKeyXAGVQJVYDPZYLG-UHFFFAOYSA-N
XLogP2.17
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(cyclopropylmethylamino)phenoxy]acetamide
CID 43720269
2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetaldehyde
CID 89019369
N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline
CID 54803051
2-[3-(cyclohexylmethylamino)phenoxy]acetamide
CID 43720202
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
2-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide
CID 62658835
methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride
CID 119284132
methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate
CID 79506458
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60849251
N-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline
CID 59231322
methyl 2-(3-phosphorosophenoxy)acetate
CID 118226316

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate (CID 59230168) is methyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate is COC(=O)COc1cccc(NCC2CCC(N)CC2)c1.
What is the InChIKey of methyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate?
The InChIKey is XAGVQJVYDPZYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-16(19)11-21-15-4-2-3-14(9-15)18-10-12-5-7-13(17)8-6-12/h2-4,9,12-13,18H,5-8,10-11,17H2,1H3.
What are the key properties of methyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate?
methyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate has a molecular weight of 292.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate is sourced from PubChem (CID 59230168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).