ethane;4-(methoxymethyl)-N-methyl-3-phosphanylaniline

C11H20NOP — CID 142867658

IUPACethane;4-(methoxymethyl)-N-methyl-3-phosphanylaniline
SMILESCC.CNc1ccc(COC)c(P)c1
InChIInChI=1S/C9H14NOP.C2H6/c1-10-8-4-3-7(6-11-2)9(12)5-8;1-2/h3-5,10H,6,12H2,1-2H3;1-2H3
InChIKeyHEXZVWFQNUJMPI-UHFFFAOYSA-N
MW213.26 g/mol
LogP2.40
Rot. Bonds3

About ethane;4-(methoxymethyl)-N-methyl-3-phosphanylaniline

ethane;4-(methoxymethyl)-N-methyl-3-phosphanylaniline (PubChem CID 142867658) has the molecular formula C11H20NOP and a molecular weight of 213.26 g/mol. Its IUPAC name is ethane;4-(methoxymethyl)-N-methyl-3-phosphanylaniline.

Molecular Properties

Compound Nameethane;4-(methoxymethyl)-N-methyl-3-phosphanylaniline
PubChem CID142867658
Molecular FormulaC11H20NOP
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Nameethane;4-(methoxymethyl)-N-methyl-3-phosphanylaniline
SMILESCC.CNc1ccc(COC)c(P)c1
InChIInChI=1S/C9H14NOP.C2H6/c1-10-8-4-3-7(6-11-2)9(12)5-8;1-2/h3-5,10H,6,12H2,1-2H3;1-2H3
InChIKeyHEXZVWFQNUJMPI-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(methoxymethyl)-N-methylaniline
CID 23080905
[5-(methoxymethyl)-2,4-dimethylphenyl]phosphane
CID 20671495
1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine
CID 170208514
[2-[2-(methoxymethyl)-6-phosphanylphenyl]phenyl]phosphane
CID 70841120
ethane;4-methoxy-N,3-dimethylaniline
CID 142876075
ethane;[4-(methylamino)-2-(methylcarbamoyl)phenyl]methyl acetate
CID 171843652
[2-fluoro-4-(methylamino)phenyl]methanethiol
CID 176555737
4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline
CID 102878273
N-methyl-4-(4-phenylphenoxy)-3-phosphanylaniline
CID 167203483
2-bromo-4-[[3-bromo-4-(methoxymethyl)phenyl]disulfanyl]-1-(methoxymethyl)benzene
CID 57296423
1,4-bis(methoxymethyl)-2-methylbenzene
CID 19879640
6-methoxy-N-methylnaphthalen-2-amine
CID 20594775

Frequently Asked Questions

What is the IUPAC name of ethane;4-(methoxymethyl)-N-methyl-3-phosphanylaniline?
The IUPAC name of ethane;4-(methoxymethyl)-N-methyl-3-phosphanylaniline (CID 142867658) is ethane;4-(methoxymethyl)-N-methyl-3-phosphanylaniline.
What is the SMILES notation for ethane;4-(methoxymethyl)-N-methyl-3-phosphanylaniline?
The canonical SMILES for ethane;4-(methoxymethyl)-N-methyl-3-phosphanylaniline is CC.CNc1ccc(COC)c(P)c1.
What is the InChIKey of ethane;4-(methoxymethyl)-N-methyl-3-phosphanylaniline?
The InChIKey is HEXZVWFQNUJMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NOP.C2H6/c1-10-8-4-3-7(6-11-2)9(12)5-8;1-2/h3-5,10H,6,12H2,1-2H3;1-2H3.
What are the key properties of ethane;4-(methoxymethyl)-N-methyl-3-phosphanylaniline?
ethane;4-(methoxymethyl)-N-methyl-3-phosphanylaniline has a molecular weight of 213.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(methoxymethyl)-N-methyl-3-phosphanylaniline is sourced from PubChem (CID 142867658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).