N-[aminomethyl-[(2-methylphenyl)methoxy]phosphoryl]-1-phenylmethanamine

C16H21N2O2P — CID 123805568

IUPACN-[aminomethyl-[(2-methylphenyl)methoxy]phosphoryl]-1-phenylmethanamine
SMILESCc1ccccc1COP(=O)(CN)NCc1ccccc1
InChIInChI=1S/C16H21N2O2P/c1-14-7-5-6-10-16(14)12-20-21(19,13-17)18-11-15-8-3-2-4-9-15/h2-10H,11-13,17H2,1H3,(H,18,19)
InChIKeyXSNMEBXYYJMQGD-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.41
Rot. Bonds7

About N-[aminomethyl-[(2-methylphenyl)methoxy]phosphoryl]-1-phenylmethanamine

N-[aminomethyl-[(2-methylphenyl)methoxy]phosphoryl]-1-phenylmethanamine (PubChem CID 123805568) has the molecular formula C16H21N2O2P and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[aminomethyl-[(2-methylphenyl)methoxy]phosphoryl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[aminomethyl-[(2-methylphenyl)methoxy]phosphoryl]-1-phenylmethanamine
PubChem CID123805568
Molecular FormulaC16H21N2O2P
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC NameN-[aminomethyl-[(2-methylphenyl)methoxy]phosphoryl]-1-phenylmethanamine
SMILESCc1ccccc1COP(=O)(CN)NCc1ccccc1
InChIInChI=1S/C16H21N2O2P/c1-14-7-5-6-10-16(14)12-20-21(19,13-17)18-11-15-8-3-2-4-9-15/h2-10H,11-13,17H2,1H3,(H,18,19)
InChIKeyXSNMEBXYYJMQGD-UHFFFAOYSA-N
XLogP3.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[aminomethyl-[(2-methylphenyl)methoxy]phosphoryl]-1-phenylmethanamine?
The IUPAC name of N-[aminomethyl-[(2-methylphenyl)methoxy]phosphoryl]-1-phenylmethanamine (CID 123805568) is N-[aminomethyl-[(2-methylphenyl)methoxy]phosphoryl]-1-phenylmethanamine.
What is the SMILES notation for N-[aminomethyl-[(2-methylphenyl)methoxy]phosphoryl]-1-phenylmethanamine?
The canonical SMILES for N-[aminomethyl-[(2-methylphenyl)methoxy]phosphoryl]-1-phenylmethanamine is Cc1ccccc1COP(=O)(CN)NCc1ccccc1.
What is the InChIKey of N-[aminomethyl-[(2-methylphenyl)methoxy]phosphoryl]-1-phenylmethanamine?
The InChIKey is XSNMEBXYYJMQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N2O2P/c1-14-7-5-6-10-16(14)12-20-21(19,13-17)18-11-15-8-3-2-4-9-15/h2-10H,11-13,17H2,1H3,(H,18,19).
What are the key properties of N-[aminomethyl-[(2-methylphenyl)methoxy]phosphoryl]-1-phenylmethanamine?
N-[aminomethyl-[(2-methylphenyl)methoxy]phosphoryl]-1-phenylmethanamine has a molecular weight of 304.33 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[aminomethyl-[(2-methylphenyl)methoxy]phosphoryl]-1-phenylmethanamine is sourced from PubChem (CID 123805568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).