CID 15863483

C13H15BN — CID 15863483

IUPAC—
SMILESCN(C)Cc1ccc2ccccc2c1.[B]
InChIInChI=1S/C13H15N.B/c1-14(2)10-11-7-8-12-5-3-4-6-13(12)9-11;/h3-9H,10H2,1-2H3;
InChIKeyAFKMILPMMNJNBH-UHFFFAOYSA-N
MW196.08 g/mol
LogP2.52
Rot. Bonds2

About CID 15863483

CID 15863483 (PubChem CID 15863483) has the molecular formula C13H15BN and a molecular weight of 196.08 g/mol.

Molecular Properties

Compound NameCID 15863483
PubChem CID15863483
Molecular FormulaC13H15BN
Molecular Weight196.08 g/mol
Exact Mass196.13
IUPAC Name—
SMILESCN(C)Cc1ccc2ccccc2c1.[B]
InChIInChI=1S/C13H15N.B/c1-14(2)10-11-7-8-12-5-3-4-6-13(12)9-11;/h3-9H,10H2,1-2H3;
InChIKeyAFKMILPMMNJNBH-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
CID 44767910
ethane;1-(6-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
CID 142950158
2-N,2-dimethyl-2-N-(naphthalen-2-ylmethyl)propane-1,2-diamine
CID 115132094
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol
CID 115224440
2-(bromomethyl)naphthalene;hydrobromide
CID 158623865
ethane;2-ethylnaphthalene
CID 90684887
1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
CID 115200753
1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
CID 115199470
N-methyl-N-(naphthalen-2-ylmethyl)prop-2-enamide
CID 54874632
4-[methyl(naphthalen-2-ylmethyl)amino]cyclohexan-1-one
CID 117039753
N-methyl-1-naphthalen-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 171327866

Frequently Asked Questions

What is the IUPAC name of CID 15863483?
The IUPAC name of CID 15863483 (CID 15863483) is not available.
What is the SMILES notation for CID 15863483?
The canonical SMILES for CID 15863483 is CN(C)Cc1ccc2ccccc2c1.[B].
What is the InChIKey of CID 15863483?
The InChIKey is AFKMILPMMNJNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.B/c1-14(2)10-11-7-8-12-5-3-4-6-13(12)9-11;/h3-9H,10H2,1-2H3;.
What are the key properties of CID 15863483?
CID 15863483 has a molecular weight of 196.08 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15863483 is sourced from PubChem (CID 15863483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).