formamide;methoxymethane;4-[2-(methylamino)ethyl]aniline;methylphosphane;1,4-xylene

C21H38N3O2P — CID 167454617

IUPACformamide;methoxymethane;4-[2-(methylamino)ethyl]aniline;methylphosphane;1,4-xylene
SMILESCNCCc1ccc(N)cc1.COC.CP.Cc1ccc(C)cc1.NC=O
InChIInChI=1S/C9H14N2.C8H10.C2H6O.CH3NO.CH5P/c1-11-7-6-8-2-4-9(10)5-3-8;1-7-3-5-8(2)6-4-7;1-3-2;2-1-3;1-2/h2-5,11H,6-7,10H2,1H3;3-6H,1-2H3;1-2H3;1H,(H2,2,3);2H2,1H3
InChIKeyIZQZCOFKIPRKDR-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.19
Rot. Bonds3

About formamide;methoxymethane;4-[2-(methylamino)ethyl]aniline;methylphosphane;1,4-xylene

formamide;methoxymethane;4-[2-(methylamino)ethyl]aniline;methylphosphane;1,4-xylene (PubChem CID 167454617) has the molecular formula C21H38N3O2P and a molecular weight of 395.53 g/mol. Its IUPAC name is formamide;methoxymethane;4-[2-(methylamino)ethyl]aniline;methylphosphane;1,4-xylene.

Molecular Properties

Compound Nameformamide;methoxymethane;4-[2-(methylamino)ethyl]aniline;methylphosphane;1,4-xylene
PubChem CID167454617
Molecular FormulaC21H38N3O2P
Molecular Weight395.53 g/mol
Exact Mass395.27
IUPAC Nameformamide;methoxymethane;4-[2-(methylamino)ethyl]aniline;methylphosphane;1,4-xylene
SMILESCNCCc1ccc(N)cc1.COC.CP.Cc1ccc(C)cc1.NC=O
InChIInChI=1S/C9H14N2.C8H10.C2H6O.CH3NO.CH5P/c1-11-7-6-8-2-4-9(10)5-3-8;1-7-3-5-8(2)6-4-7;1-3-2;2-1-3;1-2/h2-5,11H,6-7,10H2,1H3;3-6H,1-2H3;1-2H3;1H,(H2,2,3);2H2,1H3
InChIKeyIZQZCOFKIPRKDR-UHFFFAOYSA-N
XLogP3.19
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 154666722
CID 154666722
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
4-[2-(methoxyamino)ethyl]aniline
CID 143701980
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
N-methyl-3-(4-methylphenyl)propan-1-amine
CID 10953856
ethane;formamide;1-methyl-4-propylbenzene
CID 143471754
2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine
CID 84780792
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
1-[2-(4-aminophenyl)ethyl]-3-(4-methylphenyl)sulfanylurea
CID 167454618
dimethyl 2-[[2-(4-aminophenyl)ethylamino]-methoxymethyl]propanedioate
CID 154660277
2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine
CID 117108047

Frequently Asked Questions

What is the IUPAC name of formamide;methoxymethane;4-[2-(methylamino)ethyl]aniline;methylphosphane;1,4-xylene?
The IUPAC name of formamide;methoxymethane;4-[2-(methylamino)ethyl]aniline;methylphosphane;1,4-xylene (CID 167454617) is formamide;methoxymethane;4-[2-(methylamino)ethyl]aniline;methylphosphane;1,4-xylene.
What is the SMILES notation for formamide;methoxymethane;4-[2-(methylamino)ethyl]aniline;methylphosphane;1,4-xylene?
The canonical SMILES for formamide;methoxymethane;4-[2-(methylamino)ethyl]aniline;methylphosphane;1,4-xylene is CNCCc1ccc(N)cc1.COC.CP.Cc1ccc(C)cc1.NC=O.
What is the InChIKey of formamide;methoxymethane;4-[2-(methylamino)ethyl]aniline;methylphosphane;1,4-xylene?
The InChIKey is IZQZCOFKIPRKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C8H10.C2H6O.CH3NO.CH5P/c1-11-7-6-8-2-4-9(10)5-3-8;1-7-3-5-8(2)6-4-7;1-3-2;2-1-3;1-2/h2-5,11H,6-7,10H2,1H3;3-6H,1-2H3;1-2H3;1H,(H2,2,3);2H2,1H3.
What are the key properties of formamide;methoxymethane;4-[2-(methylamino)ethyl]aniline;methylphosphane;1,4-xylene?
formamide;methoxymethane;4-[2-(methylamino)ethyl]aniline;methylphosphane;1,4-xylene has a molecular weight of 395.53 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;methoxymethane;4-[2-(methylamino)ethyl]aniline;methylphosphane;1,4-xylene is sourced from PubChem (CID 167454617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).