2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid

C16H24ClNO2 — CID 69268919

IUPAC2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid
SMILESCCC(CCCc1ccc(Cl)cc1)CC(CN)C(=O)O
InChIInChI=1S/C16H24ClNO2/c1-2-12(10-14(11-18)16(19)20)4-3-5-13-6-8-15(17)9-7-13/h6-9,12,14H,2-5,10-11,18H2,1H3,(H,19,20)
InChIKeyLYMCSLQBUKCYOG-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.74
Rot. Bonds9

About 2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid

2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid (PubChem CID 69268919) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid
PubChem CID69268919
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid
SMILESCCC(CCCc1ccc(Cl)cc1)CC(CN)C(=O)O
InChIInChI=1S/C16H24ClNO2/c1-2-12(10-14(11-18)16(19)20)4-3-5-13-6-8-15(17)9-7-13/h6-9,12,14H,2-5,10-11,18H2,1H3,(H,19,20)
InChIKeyLYMCSLQBUKCYOG-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

2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid
CID 69268566
2-(aminomethyl)-4-ethyl-6-(4-fluorophenyl)hexanoic acid
CID 69269638
2-(aminomethyl)-6-(3,4-difluorophenyl)-4-ethylhexanoic acid
CID 69269319
2-(aminomethyl)-7-[3,4-bis(trifluoromethyl)phenyl]-4-ethylheptanoic acid
CID 87759817
2-(aminomethyl)-4-ethyl-7-(3-hydroxyphenyl)heptanoic acid
CID 69269231
2-(aminomethyl)-6-(2,6-dichlorophenyl)-4-ethylhexanoic acid
CID 69269632
2-(aminomethyl)-4-ethyl-7-(2,3,5,6-tetrahydroxyphenyl)heptanoic acid
CID 87759622
2-(aminomethyl)-7-(3,5-diethoxyphenyl)-4-ethylheptanoic acid
CID 69268808
2-(aminomethyl)-6-(3,4-dihydroxyphenyl)-4-ethylhexanoic acid
CID 69267514
2-(aminomethyl)-4-ethyl-6-[4-(trifluoromethoxy)phenyl]hexanoic acid
CID 69268098
2-(aminomethyl)-7-(2,5-dimethylphenyl)-4-ethylheptanoic acid
CID 69268670
2-(aminomethyl)-6-(3,4-diethoxyphenyl)-4-ethylhexanoic acid
CID 69267130

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid?
The IUPAC name of 2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid (CID 69268919) is 2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid.
What is the SMILES notation for 2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid?
The canonical SMILES for 2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid is CCC(CCCc1ccc(Cl)cc1)CC(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid?
The InChIKey is LYMCSLQBUKCYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-2-12(10-14(11-18)16(19)20)4-3-5-13-6-8-15(17)9-7-13/h6-9,12,14H,2-5,10-11,18H2,1H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid?
2-(aminomethyl)-7-(4-chlorophenyl)-4-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-(4-chlorophenyl)-4-ethylheptanoic acid is sourced from PubChem (CID 69268919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).