4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid

C19H22FNO2 — CID 120511962

IUPAC4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
SMILESCc1cc(CNC(CCC(=O)O)Cc2ccccc2)ccc1F
InChIInChI=1S/C19H22FNO2/c1-14-11-16(7-9-18(14)20)13-21-17(8-10-19(22)23)12-15-5-3-2-4-6-15/h2-7,9,11,17,21H,8,10,12-13H2,1H3,(H,22,23)
InChIKeyAQDIRBRYYFGKFL-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.70
Rot. Bonds8

About 4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid

4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid (PubChem CID 120511962) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
PubChem CID120511962
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
SMILESCc1cc(CNC(CCC(=O)O)Cc2ccccc2)ccc1F
InChIInChI=1S/C19H22FNO2/c1-14-11-16(7-9-18(14)20)13-21-17(8-10-19(22)23)12-15-5-3-2-4-6-15/h2-7,9,11,17,21H,8,10,12-13H2,1H3,(H,22,23)
InChIKeyAQDIRBRYYFGKFL-UHFFFAOYSA-N
XLogP3.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chloro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 120512052
4-[(3-chloro-4-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045862
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511853
4-[(3,4-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511858
5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid
CID 122045767
4-[(4-bromophenyl)methylamino]-5-phenylpentanoic acid
CID 120512028
4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
CID 120512041
4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511914
4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045700
4-[[4-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511928
4-[(3-methylthiophen-2-yl)methylamino]-5-phenylpentanoic acid
CID 120511953

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid (CID 120511962) is 4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid is Cc1cc(CNC(CCC(=O)O)Cc2ccccc2)ccc1F.
What is the InChIKey of 4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid?
The InChIKey is AQDIRBRYYFGKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-14-11-16(7-9-18(14)20)13-21-17(8-10-19(22)23)12-15-5-3-2-4-6-15/h2-7,9,11,17,21H,8,10,12-13H2,1H3,(H,22,23).
What are the key properties of 4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid?
4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid has a molecular weight of 315.39 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 120511962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).