borane;N-methyl-1-phenylmethanamine

C8H14BN — CID 134979061

IUPACborane;N-methyl-1-phenylmethanamine
SMILESB.CNCc1ccccc1
InChIInChI=1S/C8H11N.BH3/c1-9-7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;1H3
InChIKeyKBAWBIGKXOVLDZ-UHFFFAOYSA-N
MW135.02 g/mol
LogP0.22
Rot. Bonds2

About borane;N-methyl-1-phenylmethanamine

borane;N-methyl-1-phenylmethanamine (PubChem CID 134979061) has the molecular formula C8H14BN and a molecular weight of 135.02 g/mol. Its IUPAC name is borane;N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Nameborane;N-methyl-1-phenylmethanamine
PubChem CID134979061
Molecular FormulaC8H14BN
Molecular Weight135.02 g/mol
Exact Mass135.12
IUPAC Nameborane;N-methyl-1-phenylmethanamine
SMILESB.CNCc1ccccc1
InChIInChI=1S/C8H11N.BH3/c1-9-7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;1H3
InChIKeyKBAWBIGKXOVLDZ-UHFFFAOYSA-N
XLogP0.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.02
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
N-methyl-1-[4-(2-phenylethyl)phenyl]methanamine
CID 21395132
ethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane
CID 143717501
2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine
CID 158445825
N-methyl-1-phenylmethanamine;N-methyl-4-(trifluoromethyl)aniline
CID 143206265
N-benzyl-N-methylethanamine;N-methyl-1-phenylmethanamine
CID 142094869
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
(E)-but-2-enoic acid;N-methyl-1-phenylmethanamine
CID 171506749
ethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine
CID 162733997
bis(N-methyl-1-phenylmethanamine);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 173404118
N-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen
CID 156868547
N-benzyl-N-methylcarbamoyl chloride;N-methyl-1-phenylmethanamine
CID 167666361

Frequently Asked Questions

What is the IUPAC name of borane;N-methyl-1-phenylmethanamine?
The IUPAC name of borane;N-methyl-1-phenylmethanamine (CID 134979061) is borane;N-methyl-1-phenylmethanamine.
What is the SMILES notation for borane;N-methyl-1-phenylmethanamine?
The canonical SMILES for borane;N-methyl-1-phenylmethanamine is B.CNCc1ccccc1.
What is the InChIKey of borane;N-methyl-1-phenylmethanamine?
The InChIKey is KBAWBIGKXOVLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.BH3/c1-9-7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;1H3.
What are the key properties of borane;N-methyl-1-phenylmethanamine?
borane;N-methyl-1-phenylmethanamine has a molecular weight of 135.02 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for borane;N-methyl-1-phenylmethanamine is sourced from PubChem (CID 134979061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).