N-benzylphosphanylmethanamine

C8H12NP — CID 5035277

IUPACN-benzylphosphanylmethanamine
SMILESCNPCc1ccccc1
InChIInChI=1S/C8H12NP/c1-9-10-7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
InChIKeyCAUZLKKHSSHDAF-UHFFFAOYSA-N
MW153.16 g/mol
LogP2.00
Rot. Bonds3

About N-benzylphosphanylmethanamine

N-benzylphosphanylmethanamine (PubChem CID 5035277) has the molecular formula C8H12NP and a molecular weight of 153.16 g/mol. Its IUPAC name is N-benzylphosphanylmethanamine.

Molecular Properties

Compound NameN-benzylphosphanylmethanamine
PubChem CID5035277
Molecular FormulaC8H12NP
Molecular Weight153.16 g/mol
Exact Mass153.07
IUPAC NameN-benzylphosphanylmethanamine
SMILESCNPCc1ccccc1
InChIInChI=1S/C8H12NP/c1-9-10-7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
InChIKeyCAUZLKKHSSHDAF-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethylbenzene;N-methylmethanamine
CID 19063869
phenyl(113C)methylbenzene
CID 11194569
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
benzylphosphinite;butane
CID 20529876
benzyl(tert-butyl)phosphane;hydrochloride
CID 174737637
benzyl(propyl)phosphane
CID 69425003
borane;N-methyl-1-phenylmethanamine
CID 134979061
chloromethylbenzene;N-methylmethanamine
CID 21478070
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699

Frequently Asked Questions

What is the IUPAC name of N-benzylphosphanylmethanamine?
The IUPAC name of N-benzylphosphanylmethanamine (CID 5035277) is N-benzylphosphanylmethanamine.
What is the SMILES notation for N-benzylphosphanylmethanamine?
The canonical SMILES for N-benzylphosphanylmethanamine is CNPCc1ccccc1.
What is the InChIKey of N-benzylphosphanylmethanamine?
The InChIKey is CAUZLKKHSSHDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NP/c1-9-10-7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3.
What are the key properties of N-benzylphosphanylmethanamine?
N-benzylphosphanylmethanamine has a molecular weight of 153.16 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylphosphanylmethanamine is sourced from PubChem (CID 5035277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).