1-[amino-(4-methylphenyl)phosphanyl]-4-methylbenzene;hydrochloride

C14H17ClNP — CID 175443609

IUPAC1-[amino-(4-methylphenyl)phosphanyl]-4-methylbenzene;hydrochloride
SMILESCc1ccc(P(N)c2ccc(C)cc2)cc1.Cl
InChIInChI=1S/C14H16NP.ClH/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14;/h3-10H,15H2,1-2H3;1H
InChIKeySJLCBZLRMHAROY-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.03
Rot. Bonds2

About 1-[amino-(4-methylphenyl)phosphanyl]-4-methylbenzene;hydrochloride

1-[amino-(4-methylphenyl)phosphanyl]-4-methylbenzene;hydrochloride (PubChem CID 175443609) has the molecular formula C14H17ClNP and a molecular weight of 265.72 g/mol. Its IUPAC name is 1-[amino-(4-methylphenyl)phosphanyl]-4-methylbenzene;hydrochloride.

Molecular Properties

Compound Name1-[amino-(4-methylphenyl)phosphanyl]-4-methylbenzene;hydrochloride
PubChem CID175443609
Molecular FormulaC14H17ClNP
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name1-[amino-(4-methylphenyl)phosphanyl]-4-methylbenzene;hydrochloride
SMILESCc1ccc(P(N)c2ccc(C)cc2)cc1.Cl
InChIInChI=1S/C14H16NP.ClH/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14;/h3-10H,15H2,1-2H3;1H
InChIKeySJLCBZLRMHAROY-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.03
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

1-[amino(methyl)phosphanyl]-4-methylbenzene
CID 142150804
ethane;tris(4-methylphenyl)phosphane
CID 145151678
platinum;tris(tris(4-methylphenyl)phosphane)
CID 71361072
CID 58850517
CID 58850517
cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride
CID 161245317
boranyl-bis(4-methylphenyl)phosphane
CID 101471392
chromium;1-fluoro-4-methylbenzene
CID 139244082
diiodopalladium;bis(tris(4-methylphenyl)phosphane)
CID 23037656
platinum;1,4-xylene
CID 173034643
cobalt;bis(1,4-xylene)
CID 67859603
methane;pentakis(1,4-xylene)
CID 160760083
chloro-(4-fluorophenyl)-(4-methylphenyl)phosphane
CID 175598108

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(4-methylphenyl)phosphanyl]-4-methylbenzene;hydrochloride?
The IUPAC name of 1-[amino-(4-methylphenyl)phosphanyl]-4-methylbenzene;hydrochloride (CID 175443609) is 1-[amino-(4-methylphenyl)phosphanyl]-4-methylbenzene;hydrochloride.
What is the SMILES notation for 1-[amino-(4-methylphenyl)phosphanyl]-4-methylbenzene;hydrochloride?
The canonical SMILES for 1-[amino-(4-methylphenyl)phosphanyl]-4-methylbenzene;hydrochloride is Cc1ccc(P(N)c2ccc(C)cc2)cc1.Cl.
What is the InChIKey of 1-[amino-(4-methylphenyl)phosphanyl]-4-methylbenzene;hydrochloride?
The InChIKey is SJLCBZLRMHAROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NP.ClH/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14;/h3-10H,15H2,1-2H3;1H.
What are the key properties of 1-[amino-(4-methylphenyl)phosphanyl]-4-methylbenzene;hydrochloride?
1-[amino-(4-methylphenyl)phosphanyl]-4-methylbenzene;hydrochloride has a molecular weight of 265.72 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(4-methylphenyl)phosphanyl]-4-methylbenzene;hydrochloride is sourced from PubChem (CID 175443609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).