4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid

C18H18FNO2 — CID 122033747

IUPAC4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1
InChIInChI=1S/C18H18FNO2/c19-15-9-8-13-2-1-3-17(16(13)10-15)20-11-12-4-6-14(7-5-12)18(21)22/h4-10,17,20H,1-3,11H2,(H,21,22)/t17-/m0/s1
InChIKeyVSEDUQZDBFCHTI-KRWDZBQOSA-N
MW299.35 g/mol
LogP3.69
Rot. Bonds4

About 4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid

4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid (PubChem CID 122033747) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid
PubChem CID122033747
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1
InChIInChI=1S/C18H18FNO2/c19-15-9-8-13-2-1-3-17(16(13)10-15)20-11-12-4-6-14(7-5-12)18(21)22/h4-10,17,20H,1-3,11H2,(H,21,22)/t17-/m0/s1
InChIKeyVSEDUQZDBFCHTI-KRWDZBQOSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]benzoic acid
CID 122032178
4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid
CID 122032052
4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122033746
3-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]propanoic acid
CID 122012602
3-[2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid
CID 120552371
N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366842
N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
4-[[[3-(3-fluorophenyl)cyclopentyl]amino]methyl]benzoic acid
CID 122033757
5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114331480
N-ethyl-6-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carboxamide
CID 133446444
N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide
CID 97062336
(2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol
CID 102372507

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid (CID 122033747) is 4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid is O=C(O)c1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1.
What is the InChIKey of 4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid?
The InChIKey is VSEDUQZDBFCHTI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-15-9-8-13-2-1-3-17(16(13)10-15)20-11-12-4-6-14(7-5-12)18(21)22/h4-10,17,20H,1-3,11H2,(H,21,22)/t17-/m0/s1.
What are the key properties of 4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid?
4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid has a molecular weight of 299.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid is sourced from PubChem (CID 122033747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).