2-(aminomethyl)-7-(3-chlorophenyl)-5-ethylheptanoic acid

C16H24ClNO2 — CID 69269987

IUPAC2-(aminomethyl)-7-(3-chlorophenyl)-5-ethylheptanoic acid
SMILESCCC(CCc1cccc(Cl)c1)CCC(CN)C(=O)O
InChIInChI=1S/C16H24ClNO2/c1-2-12(8-9-14(11-18)16(19)20)6-7-13-4-3-5-15(17)10-13/h3-5,10,12,14H,2,6-9,11,18H2,1H3,(H,19,20)
InChIKeyQWGTUWTYTNCMNU-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.74
Rot. Bonds9

About 2-(aminomethyl)-7-(3-chlorophenyl)-5-ethylheptanoic acid

2-(aminomethyl)-7-(3-chlorophenyl)-5-ethylheptanoic acid (PubChem CID 69269987) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-(aminomethyl)-7-(3-chlorophenyl)-5-ethylheptanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-7-(3-chlorophenyl)-5-ethylheptanoic acid
PubChem CID69269987
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name2-(aminomethyl)-7-(3-chlorophenyl)-5-ethylheptanoic acid
SMILESCCC(CCc1cccc(Cl)c1)CCC(CN)C(=O)O
InChIInChI=1S/C16H24ClNO2/c1-2-12(8-9-14(11-18)16(19)20)6-7-13-4-3-5-15(17)10-13/h3-5,10,12,14H,2,6-9,11,18H2,1H3,(H,19,20)
InChIKeyQWGTUWTYTNCMNU-UHFFFAOYSA-N
XLogP3.74
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenyl)-2-ethylbutanoic acid
CID 158851266
2-(aminomethyl)-4-ethyl-6-[3-(trifluoromethyl)phenyl]hexanoic acid
CID 69267994
(2S)-2-(aminomethyl)-5-ethylheptanoic acid
CID 11845860
2-(aminomethyl)-6-(3,4-difluorophenyl)-4-ethylhexanoic acid
CID 69269319
5-(3-chlorophenyl)-2-ethoxycarbonylpentanoic acid
CID 54177439
2-(aminomethyl)-4-ethyl-7-(3-hydroxyphenyl)heptanoic acid
CID 69269231
2-(aminomethyl)-6-(3,4-dihydroxyphenyl)-4-ethylhexanoic acid
CID 69267514
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]pentanamide
CID 65226161
2-butan-2-yloxycarbonyl-5-(3-chlorophenyl)pentanoic acid
CID 70549431
diethyl 2-[2-(3-chlorophenyl)ethyl]propanedioate
CID 14711442
2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid
CID 69268919
2-[(3-chlorophenyl)methyl]-4-fluorobutanoic acid
CID 80694134

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7-(3-chlorophenyl)-5-ethylheptanoic acid?
The IUPAC name of 2-(aminomethyl)-7-(3-chlorophenyl)-5-ethylheptanoic acid (CID 69269987) is 2-(aminomethyl)-7-(3-chlorophenyl)-5-ethylheptanoic acid.
What is the SMILES notation for 2-(aminomethyl)-7-(3-chlorophenyl)-5-ethylheptanoic acid?
The canonical SMILES for 2-(aminomethyl)-7-(3-chlorophenyl)-5-ethylheptanoic acid is CCC(CCc1cccc(Cl)c1)CCC(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-7-(3-chlorophenyl)-5-ethylheptanoic acid?
The InChIKey is QWGTUWTYTNCMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-2-12(8-9-14(11-18)16(19)20)6-7-13-4-3-5-15(17)10-13/h3-5,10,12,14H,2,6-9,11,18H2,1H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-7-(3-chlorophenyl)-5-ethylheptanoic acid?
2-(aminomethyl)-7-(3-chlorophenyl)-5-ethylheptanoic acid has a molecular weight of 297.83 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7-(3-chlorophenyl)-5-ethylheptanoic acid is sourced from PubChem (CID 69269987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).