6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid

C18H15NO2 — CID 86081762

IUPAC6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid
SMILESNCc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1
InChIInChI=1S/C18H15NO2/c19-11-12-1-3-13(4-2-12)14-5-6-16-10-17(18(20)21)8-7-15(16)9-14/h1-10H,11,19H2,(H,20,21)
InChIKeyBJAGLAZGRKRGPN-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.66
Rot. Bonds3

About 6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid

6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid (PubChem CID 86081762) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid
PubChem CID86081762
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid
SMILESNCc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1
InChIInChI=1S/C18H15NO2/c19-11-12-1-3-13(4-2-12)14-5-6-16-10-17(18(20)21)8-7-15(16)9-14/h1-10H,11,19H2,(H,20,21)
InChIKeyBJAGLAZGRKRGPN-UHFFFAOYSA-N
XLogP3.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-(6-carboxynaphthalen-2-yl)phenyl]naphthalene-2-carboxylic acid
CID 175448774
3-[4-[4-(aminomethyl)phenyl]phenyl]-4-chlorobenzoic acid
CID 68551105
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride
CID 138038044
6-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 57264247
4-(1,1,4,4-tetramethyl-2,3-dihydrobenzo[g][1,4]benzodisilin-7-yl)benzoic acid
CID 10000488
4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol
CID 159984527
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
CID 175159598

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid (CID 86081762) is 6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid is NCc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1.
What is the InChIKey of 6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid?
The InChIKey is BJAGLAZGRKRGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c19-11-12-1-3-13(4-2-12)14-5-6-16-10-17(18(20)21)8-7-15(16)9-14/h1-10H,11,19H2,(H,20,21).
What are the key properties of 6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid?
6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 86081762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).