ethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate

C15H22ClNO2 — CID 78994299

IUPACethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO2/c1-4-7-14(15(18)19-5-2)17(3)11-12-8-6-9-13(16)10-12/h6,8-10,14H,4-5,7,11H2,1-3H3
InChIKeyPRPLMZZWOGSTTK-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.50
Rot. Bonds7

About ethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate

ethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate (PubChem CID 78994299) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is ethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate
PubChem CID78994299
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Nameethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO2/c1-4-7-14(15(18)19-5-2)17(3)11-12-8-6-9-13(16)10-12/h6,8-10,14H,4-5,7,11H2,1-3H3
InChIKeyPRPLMZZWOGSTTK-UHFFFAOYSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3-carbamothioylphenyl)methyl-methylamino]pentanoate
CID 83039317
2-N-[(3-chlorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413099
diethyl 2-[2-(3-chlorophenyl)ethyl]propanedioate
CID 14711442
3-N-[(3-chlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 61413472
N'-[(3-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine
CID 65232580
2-N-[(3-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83054284
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
ethyl (2S)-2-[(3-methoxyphenyl)methyl-methylamino]-3-phenylpropanoate
CID 99809151
ethyl 4-[(3-chlorophenyl)methyl-methylamino]-3-oxobutanoate
CID 63898323
4-N-[(3-chlorophenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 62431023
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
5-(3-chlorophenyl)-2-ethoxycarbonylpentanoic acid
CID 54177439

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate?
The IUPAC name of ethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate (CID 78994299) is ethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate.
What is the SMILES notation for ethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate?
The canonical SMILES for ethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate is CCCC(C(=O)OCC)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of ethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate?
The InChIKey is PRPLMZZWOGSTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-7-14(15(18)19-5-2)17(3)11-12-8-6-9-13(16)10-12/h6,8-10,14H,4-5,7,11H2,1-3H3.
What are the key properties of ethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate?
ethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate has a molecular weight of 283.80 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate is sourced from PubChem (CID 78994299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).