phenylmethanamine;trioctylphosphane

C31H60NP — CID 174278232

IUPACphenylmethanamine;trioctylphosphane
SMILESCCCCCCCCP(CCCCCCCC)CCCCCCCC.NCc1ccccc1
InChIInChI=1S/C24H51P.C7H9N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;8-6-7-4-2-1-3-5-7/h4-24H2,1-3H3;1-5H,6,8H2
InChIKeyUBTCGENEEKSZKL-UHFFFAOYSA-N
MW477.80 g/mol
LogP10.70
Rot. Bonds22

About phenylmethanamine;trioctylphosphane

phenylmethanamine;trioctylphosphane (PubChem CID 174278232) has the molecular formula C31H60NP and a molecular weight of 477.80 g/mol. Its IUPAC name is phenylmethanamine;trioctylphosphane.

Molecular Properties

Compound Namephenylmethanamine;trioctylphosphane
PubChem CID174278232
Molecular FormulaC31H60NP
Molecular Weight477.80 g/mol
Exact Mass477.45
IUPAC Namephenylmethanamine;trioctylphosphane
SMILESCCCCCCCCP(CCCCCCCC)CCCCCCCC.NCc1ccccc1
InChIInChI=1S/C24H51P.C7H9N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;8-6-7-4-2-1-3-5-7/h4-24H2,1-3H3;1-5H,6,8H2
InChIKeyUBTCGENEEKSZKL-UHFFFAOYSA-N
XLogP10.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.80
LogP ≤ 510.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butane;1-chlorohexadecane;phenylmethanamine
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CID 158877001
(Z)-octadec-9-en-1-amine;phenylmethanamine
CID 68964749
phenylmethanamine
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hexyl-octyl-pentylphosphane
CID 90108526
dodecylbenzene;sulfane
CID 20560423
hexakis(decane);ethylbenzene
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phenylmethanamine;tetramethylazanium;hydroxide
CID 174471017
ethane;phenylmethanamine;vanadium
CID 158602574
sodium phenylmethanamine
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Frequently Asked Questions

What is the IUPAC name of phenylmethanamine;trioctylphosphane?
The IUPAC name of phenylmethanamine;trioctylphosphane (CID 174278232) is phenylmethanamine;trioctylphosphane.
What is the SMILES notation for phenylmethanamine;trioctylphosphane?
The canonical SMILES for phenylmethanamine;trioctylphosphane is CCCCCCCCP(CCCCCCCC)CCCCCCCC.NCc1ccccc1.
What is the InChIKey of phenylmethanamine;trioctylphosphane?
The InChIKey is UBTCGENEEKSZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51P.C7H9N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;8-6-7-4-2-1-3-5-7/h4-24H2,1-3H3;1-5H,6,8H2.
What are the key properties of phenylmethanamine;trioctylphosphane?
phenylmethanamine;trioctylphosphane has a molecular weight of 477.80 g/mol, XLogP of 10.70, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanamine;trioctylphosphane is sourced from PubChem (CID 174278232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).