[3-[3-(aminomethyl)phenyl]phosphanylphenyl]methanamine

C14H17N2P — CID 150151059

IUPAC[3-[3-(aminomethyl)phenyl]phosphanylphenyl]methanamine
SMILESNCc1cccc(Pc2cccc(CN)c2)c1
InChIInChI=1S/C14H17N2P/c15-9-11-3-1-5-13(7-11)17-14-6-2-4-12(8-14)10-16/h1-8,17H,9-10,15-16H2
InChIKeyCHGGRXHHSMOZRX-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.23
Rot. Bonds4

About [3-[3-(aminomethyl)phenyl]phosphanylphenyl]methanamine

[3-[3-(aminomethyl)phenyl]phosphanylphenyl]methanamine (PubChem CID 150151059) has the molecular formula C14H17N2P and a molecular weight of 244.28 g/mol. Its IUPAC name is [3-[3-(aminomethyl)phenyl]phosphanylphenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(aminomethyl)phenyl]phosphanylphenyl]methanamine
PubChem CID150151059
Molecular FormulaC14H17N2P
Molecular Weight244.28 g/mol
Exact Mass244.11
IUPAC Name[3-[3-(aminomethyl)phenyl]phosphanylphenyl]methanamine
SMILESNCc1cccc(Pc2cccc(CN)c2)c1
InChIInChI=1S/C14H17N2P/c15-9-11-3-1-5-13(7-11)17-14-6-2-4-12(8-14)10-16/h1-8,17H,9-10,15-16H2
InChIKeyCHGGRXHHSMOZRX-UHFFFAOYSA-N
XLogP1.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(aminomethyl)phenyl]phosphanylphenyl]methanamine?
The IUPAC name of [3-[3-(aminomethyl)phenyl]phosphanylphenyl]methanamine (CID 150151059) is [3-[3-(aminomethyl)phenyl]phosphanylphenyl]methanamine.
What is the SMILES notation for [3-[3-(aminomethyl)phenyl]phosphanylphenyl]methanamine?
The canonical SMILES for [3-[3-(aminomethyl)phenyl]phosphanylphenyl]methanamine is NCc1cccc(Pc2cccc(CN)c2)c1.
What is the InChIKey of [3-[3-(aminomethyl)phenyl]phosphanylphenyl]methanamine?
The InChIKey is CHGGRXHHSMOZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N2P/c15-9-11-3-1-5-13(7-11)17-14-6-2-4-12(8-14)10-16/h1-8,17H,9-10,15-16H2.
What are the key properties of [3-[3-(aminomethyl)phenyl]phosphanylphenyl]methanamine?
[3-[3-(aminomethyl)phenyl]phosphanylphenyl]methanamine has a molecular weight of 244.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(aminomethyl)phenyl]phosphanylphenyl]methanamine is sourced from PubChem (CID 150151059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).