N-[(3,4-dimethylphenyl)methoxy]-1-phosphanylmethanamine

C10H16NOP — CID 58738332

IUPACN-[(3,4-dimethylphenyl)methoxy]-1-phosphanylmethanamine
SMILESCc1ccc(CONCP)cc1C
InChIInChI=1S/C10H16NOP/c1-8-3-4-10(5-9(8)2)6-12-11-7-13/h3-5,11H,6-7,13H2,1-2H3
InChIKeyFCVBTWZXWPYKMS-UHFFFAOYSA-N
MW197.22 g/mol
LogP2.16
Rot. Bonds4

About N-[(3,4-dimethylphenyl)methoxy]-1-phosphanylmethanamine

N-[(3,4-dimethylphenyl)methoxy]-1-phosphanylmethanamine (PubChem CID 58738332) has the molecular formula C10H16NOP and a molecular weight of 197.22 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methoxy]-1-phosphanylmethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methoxy]-1-phosphanylmethanamine
PubChem CID58738332
Molecular FormulaC10H16NOP
Molecular Weight197.22 g/mol
Exact Mass197.10
IUPAC NameN-[(3,4-dimethylphenyl)methoxy]-1-phosphanylmethanamine
SMILESCc1ccc(CONCP)cc1C
InChIInChI=1S/C10H16NOP/c1-8-3-4-10(5-9(8)2)6-12-11-7-13/h3-5,11H,6-7,13H2,1-2H3
InChIKeyFCVBTWZXWPYKMS-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide
CID 116846700
2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide
CID 116845305
4-(butoxymethyl)-1,2-dimethylbenzene
CID 57131464
(2R)-1-[(3,4-dimethylphenyl)methoxy]propan-2-amine
CID 97057920
(2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine
CID 97057923
4-ethyl-1,2-dimethylbenzene;1,4-xylene
CID 142969887
1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol
CID 102548255
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161
2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 144851881
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
4-(methoxymethyl)-2-methylbenzenethiol
CID 123188864
(4-methoxy-3-methylphenyl)methylphosphane
CID 89138390

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methoxy]-1-phosphanylmethanamine?
The IUPAC name of N-[(3,4-dimethylphenyl)methoxy]-1-phosphanylmethanamine (CID 58738332) is N-[(3,4-dimethylphenyl)methoxy]-1-phosphanylmethanamine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methoxy]-1-phosphanylmethanamine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methoxy]-1-phosphanylmethanamine is Cc1ccc(CONCP)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methoxy]-1-phosphanylmethanamine?
The InChIKey is FCVBTWZXWPYKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NOP/c1-8-3-4-10(5-9(8)2)6-12-11-7-13/h3-5,11H,6-7,13H2,1-2H3.
What are the key properties of N-[(3,4-dimethylphenyl)methoxy]-1-phosphanylmethanamine?
N-[(3,4-dimethylphenyl)methoxy]-1-phosphanylmethanamine has a molecular weight of 197.22 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methoxy]-1-phosphanylmethanamine is sourced from PubChem (CID 58738332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).