N-methyl-N-[methyl(phenyl)boranyl]methanamine

C9H14BN — CID 583483

IUPACN-methyl-N-[methyl(phenyl)boranyl]methanamine
SMILESCB(c1ccccc1)N(C)C
InChIInChI=1S/C9H14BN/c1-10(11(2)3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyMORWGLAUZZXKCT-UHFFFAOYSA-N
MW147.03 g/mol
LogP1.08
Rot. Bonds2

About N-methyl-N-[methyl(phenyl)boranyl]methanamine

N-methyl-N-[methyl(phenyl)boranyl]methanamine (PubChem CID 583483) has the molecular formula C9H14BN and a molecular weight of 147.03 g/mol. Its IUPAC name is N-methyl-N-[methyl(phenyl)boranyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[methyl(phenyl)boranyl]methanamine
PubChem CID583483
Molecular FormulaC9H14BN
Molecular Weight147.03 g/mol
Exact Mass147.12
IUPAC NameN-methyl-N-[methyl(phenyl)boranyl]methanamine
SMILESCB(c1ccccc1)N(C)C
InChIInChI=1S/C9H14BN/c1-10(11(2)3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyMORWGLAUZZXKCT-UHFFFAOYSA-N
XLogP1.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.03
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[methyl(phenyl)boranyl]methanamine?
The IUPAC name of N-methyl-N-[methyl(phenyl)boranyl]methanamine (CID 583483) is N-methyl-N-[methyl(phenyl)boranyl]methanamine.
What is the SMILES notation for N-methyl-N-[methyl(phenyl)boranyl]methanamine?
The canonical SMILES for N-methyl-N-[methyl(phenyl)boranyl]methanamine is CB(c1ccccc1)N(C)C.
What is the InChIKey of N-methyl-N-[methyl(phenyl)boranyl]methanamine?
The InChIKey is MORWGLAUZZXKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BN/c1-10(11(2)3)9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of N-methyl-N-[methyl(phenyl)boranyl]methanamine?
N-methyl-N-[methyl(phenyl)boranyl]methanamine has a molecular weight of 147.03 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[methyl(phenyl)boranyl]methanamine is sourced from PubChem (CID 583483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).