ethyl 3-[3-(3-aminocyclohexyl)phenoxy]propanoate

C17H25NO3 — CID 143216419

IUPACethyl 3-[3-(3-aminocyclohexyl)phenoxy]propanoate
SMILESCCOC(=O)CCOc1cccc(C2CCCC(N)C2)c1
InChIInChI=1S/C17H25NO3/c1-2-20-17(19)9-10-21-16-8-4-6-14(12-16)13-5-3-7-15(18)11-13/h4,6,8,12-13,15H,2-3,5,7,9-11,18H2,1H3
InChIKeyMYERGJLCMRMJOG-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.00
Rot. Bonds6

About ethyl 3-[3-(3-aminocyclohexyl)phenoxy]propanoate

ethyl 3-[3-(3-aminocyclohexyl)phenoxy]propanoate (PubChem CID 143216419) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 3-[3-(3-aminocyclohexyl)phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(3-aminocyclohexyl)phenoxy]propanoate
PubChem CID143216419
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 3-[3-(3-aminocyclohexyl)phenoxy]propanoate
SMILESCCOC(=O)CCOc1cccc(C2CCCC(N)C2)c1
InChIInChI=1S/C17H25NO3/c1-2-20-17(19)9-10-21-16-8-4-6-14(12-16)13-5-3-7-15(18)11-13/h4,6,8,12-13,15H,2-3,5,7,9-11,18H2,1H3
InChIKeyMYERGJLCMRMJOG-UHFFFAOYSA-N
XLogP3.00
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-[(1R,3R)-3-[[(1R)-1-phenylethyl]amino]cyclohexyl]phenoxy]acetate
CID 139893090
ethyl 3-(3-hydroxyphenoxy)propanoate
CID 156769963
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
ethyl 4-(3-aminocyclohexyl)benzoate;hydrochloride
CID 171338367
ethyl 3-[3-(diethylamino)phenoxy]propanoate
CID 43517017
ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate
CID 174425410
cyclopropylmethyl 3-(3-aminophenoxy)propanoate
CID 61309800
N-[(1R,3S)-3-(3-methoxyphenyl)cyclohexyl]butanamide
CID 22869139
ethyl 3-(4-chloro-3-methylphenoxy)propanoate
CID 43174157
1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 82303248
3-(3-pyrrolidin-3-ylphenoxy)propanoic acid
CID 115040765
cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine
CID 95376050

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(3-aminocyclohexyl)phenoxy]propanoate?
The IUPAC name of ethyl 3-[3-(3-aminocyclohexyl)phenoxy]propanoate (CID 143216419) is ethyl 3-[3-(3-aminocyclohexyl)phenoxy]propanoate.
What is the SMILES notation for ethyl 3-[3-(3-aminocyclohexyl)phenoxy]propanoate?
The canonical SMILES for ethyl 3-[3-(3-aminocyclohexyl)phenoxy]propanoate is CCOC(=O)CCOc1cccc(C2CCCC(N)C2)c1.
What is the InChIKey of ethyl 3-[3-(3-aminocyclohexyl)phenoxy]propanoate?
The InChIKey is MYERGJLCMRMJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-20-17(19)9-10-21-16-8-4-6-14(12-16)13-5-3-7-15(18)11-13/h4,6,8,12-13,15H,2-3,5,7,9-11,18H2,1H3.
What are the key properties of ethyl 3-[3-(3-aminocyclohexyl)phenoxy]propanoate?
ethyl 3-[3-(3-aminocyclohexyl)phenoxy]propanoate has a molecular weight of 291.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(3-aminocyclohexyl)phenoxy]propanoate is sourced from PubChem (CID 143216419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).