naphthalene-2,6-diol;phenylmethanamine

C24H26N2O2 — CID 139184911

IUPACnaphthalene-2,6-diol;phenylmethanamine
SMILESNCc1ccccc1.NCc1ccccc1.Oc1ccc2cc(O)ccc2c1
InChIInChI=1S/C10H8O2.2C7H9N/c11-9-3-1-7-5-10(12)4-2-8(7)6-9;2*8-6-7-4-2-1-3-5-7/h1-6,11-12H;2*1-5H,6,8H2
InChIKeyVXPWTSQZFQSIJL-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.54
Rot. Bonds2

About naphthalene-2,6-diol;phenylmethanamine

naphthalene-2,6-diol;phenylmethanamine (PubChem CID 139184911) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is naphthalene-2,6-diol;phenylmethanamine.

Molecular Properties

Compound Namenaphthalene-2,6-diol;phenylmethanamine
PubChem CID139184911
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Namenaphthalene-2,6-diol;phenylmethanamine
SMILESNCc1ccccc1.NCc1ccccc1.Oc1ccc2cc(O)ccc2c1
InChIInChI=1S/C10H8O2.2C7H9N/c11-9-3-1-7-5-10(12)4-2-8(7)6-9;2*8-6-7-4-2-1-3-5-7/h1-6,11-12H;2*1-5H,6,8H2
InChIKeyVXPWTSQZFQSIJL-UHFFFAOYSA-N
XLogP4.54
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalene-2,6-diol;phenylmethanamine
CID 11482538
phenylmethanamine
CID 19864074
naphthalen-2-ol;phenylmethoxymethylbenzene
CID 18786875
bis(4-chlorophenol);phenylmethanamine
CID 70600603
naphthalen-2-ol
CID 71750931
phenylmethanamine;trihydrobromide
CID 175177372
phenylmethanamine;dodecahydrobromide
CID 175510511
phenylmethanamine;titanium(2+)
CID 21287655
sodium phenylmethanamine
CID 172793696
naphthalen-2-amine;phenylmethanamine
CID 174814496
3-(aminomethyl)phenol;ethane;ethylbenzene
CID 144683707
CID 69280188
CID 69280188

Frequently Asked Questions

What is the IUPAC name of naphthalene-2,6-diol;phenylmethanamine?
The IUPAC name of naphthalene-2,6-diol;phenylmethanamine (CID 139184911) is naphthalene-2,6-diol;phenylmethanamine.
What is the SMILES notation for naphthalene-2,6-diol;phenylmethanamine?
The canonical SMILES for naphthalene-2,6-diol;phenylmethanamine is NCc1ccccc1.NCc1ccccc1.Oc1ccc2cc(O)ccc2c1.
What is the InChIKey of naphthalene-2,6-diol;phenylmethanamine?
The InChIKey is VXPWTSQZFQSIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2.2C7H9N/c11-9-3-1-7-5-10(12)4-2-8(7)6-9;2*8-6-7-4-2-1-3-5-7/h1-6,11-12H;2*1-5H,6,8H2.
What are the key properties of naphthalene-2,6-diol;phenylmethanamine?
naphthalene-2,6-diol;phenylmethanamine has a molecular weight of 374.48 g/mol, XLogP of 4.54, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2,6-diol;phenylmethanamine is sourced from PubChem (CID 139184911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).