1-[amino(methyl)phosphanyl]-4-methylbenzene

C8H12NP — CID 142150804

IUPAC1-[amino(methyl)phosphanyl]-4-methylbenzene
SMILESCc1ccc(P(C)N)cc1
InChIInChI=1S/C8H12NP/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,9H2,1-2H3
InChIKeyTZNPRMHJIGSPHU-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.61
Rot. Bonds1

About 1-[amino(methyl)phosphanyl]-4-methylbenzene

1-[amino(methyl)phosphanyl]-4-methylbenzene (PubChem CID 142150804) has the molecular formula C8H12NP and a molecular weight of 153.16 g/mol. Its IUPAC name is 1-[amino(methyl)phosphanyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[amino(methyl)phosphanyl]-4-methylbenzene
PubChem CID142150804
Molecular FormulaC8H12NP
Molecular Weight153.16 g/mol
Exact Mass153.07
IUPAC Name1-[amino(methyl)phosphanyl]-4-methylbenzene
SMILESCc1ccc(P(C)N)cc1
InChIInChI=1S/C8H12NP/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,9H2,1-2H3
InChIKeyTZNPRMHJIGSPHU-UHFFFAOYSA-N
XLogP1.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.61
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-(4-methylphenyl)phosphanyl]-4-methylbenzene;hydrochloride
CID 175443609
ethane;tris(4-methylphenyl)phosphane
CID 145151678
platinum;tris(tris(4-methylphenyl)phosphane)
CID 71361072
cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride
CID 161245317
CID 58850517
CID 58850517
boranyl-bis(4-methylphenyl)phosphane
CID 101471392
diiodopalladium;bis(tris(4-methylphenyl)phosphane)
CID 23037656
methane;pentakis(1,4-xylene)
CID 160760083
platinum;1,4-xylene
CID 173034643
cobalt;bis(1,4-xylene)
CID 67859603
silver;tris(4-methylphenyl)phosphane;perchlorate
CID 135045911
(3,5-dimethylphenyl)-bis(4-methylphenyl)phosphane
CID 129275176

Frequently Asked Questions

What is the IUPAC name of 1-[amino(methyl)phosphanyl]-4-methylbenzene?
The IUPAC name of 1-[amino(methyl)phosphanyl]-4-methylbenzene (CID 142150804) is 1-[amino(methyl)phosphanyl]-4-methylbenzene.
What is the SMILES notation for 1-[amino(methyl)phosphanyl]-4-methylbenzene?
The canonical SMILES for 1-[amino(methyl)phosphanyl]-4-methylbenzene is Cc1ccc(P(C)N)cc1.
What is the InChIKey of 1-[amino(methyl)phosphanyl]-4-methylbenzene?
The InChIKey is TZNPRMHJIGSPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NP/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,9H2,1-2H3.
What are the key properties of 1-[amino(methyl)phosphanyl]-4-methylbenzene?
1-[amino(methyl)phosphanyl]-4-methylbenzene has a molecular weight of 153.16 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(methyl)phosphanyl]-4-methylbenzene is sourced from PubChem (CID 142150804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).