ethane;methoxymethylbenzene;N-methyl-1-phenylmethanamine;methylsulfanylmethylbenzene;propylbenzene

C41H67NOS — CID 158593770

IUPACethane;methoxymethylbenzene;N-methyl-1-phenylmethanamine;methylsulfanylmethylbenzene;propylbenzene
SMILESCC.CC.CC.CC.CCCc1ccccc1.CNCc1ccccc1.COCc1ccccc1.CSCc1ccccc1
InChIInChI=1S/C9H12.C8H11N.C8H10O.C8H10S.4C2H6/c1-2-6-9-7-4-3-5-8-9;3*1-9-7-8-5-3-2-4-6-8;4*1-2/h3-5,7-8H,2,6H2,1H3;2-6,9H,7H2,1H3;2*2-6H,7H2,1H3;4*1-2H3
InChIKeyHUTNMUHDESHHLA-UHFFFAOYSA-N
MW622.06 g/mol
LogP12.53
Rot. Bonds8

About ethane;methoxymethylbenzene;N-methyl-1-phenylmethanamine;methylsulfanylmethylbenzene;propylbenzene

ethane;methoxymethylbenzene;N-methyl-1-phenylmethanamine;methylsulfanylmethylbenzene;propylbenzene (PubChem CID 158593770) has the molecular formula C41H67NOS and a molecular weight of 622.06 g/mol. Its IUPAC name is ethane;methoxymethylbenzene;N-methyl-1-phenylmethanamine;methylsulfanylmethylbenzene;propylbenzene.

Molecular Properties

Compound Nameethane;methoxymethylbenzene;N-methyl-1-phenylmethanamine;methylsulfanylmethylbenzene;propylbenzene
PubChem CID158593770
Molecular FormulaC41H67NOS
Molecular Weight622.06 g/mol
Exact Mass621.49
IUPAC Nameethane;methoxymethylbenzene;N-methyl-1-phenylmethanamine;methylsulfanylmethylbenzene;propylbenzene
SMILESCC.CC.CC.CC.CCCc1ccccc1.CNCc1ccccc1.COCc1ccccc1.CSCc1ccccc1
InChIInChI=1S/C9H12.C8H11N.C8H10O.C8H10S.4C2H6/c1-2-6-9-7-4-3-5-8-9;3*1-9-7-8-5-3-2-4-6-8;4*1-2/h3-5,7-8H,2,6H2,1H3;2-6,9H,7H2,1H3;2*2-6H,7H2,1H3;4*1-2H3
InChIKeyHUTNMUHDESHHLA-UHFFFAOYSA-N
XLogP12.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.06
LogP ≤ 512.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;methoxymethylbenzene;N-methyl-1-phenylmethanamine;methylsulfanylmethylbenzene;propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-methyl-1-(4-propylphenyl)methanamine
CID 176699852
N-methyl-1-(4-propylphenyl)methanamine
CID 20666221
ethane;methoxymethylbenzene;propane
CID 144561349
N-methyl-1-[4-(2-phenylethyl)phenyl]methanamine
CID 21395132
ethane;methane;methylsulfanylmethylbenzene
CID 161395103
ethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene
CID 161313469
ethane;formaldehyde;N-methyl-1-phenylmethanamine;methylsulfanylmethane
CID 143717501
borane;N-methyl-1-phenylmethanamine
CID 134979061
methoxymethylbenzene;vanadium
CID 167445376
methoxymethylbenzene;silane
CID 174277199
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
lithium;hydride;methoxymethylbenzene
CID 174456658

Frequently Asked Questions

What is the IUPAC name of ethane;methoxymethylbenzene;N-methyl-1-phenylmethanamine;methylsulfanylmethylbenzene;propylbenzene?
The IUPAC name of ethane;methoxymethylbenzene;N-methyl-1-phenylmethanamine;methylsulfanylmethylbenzene;propylbenzene (CID 158593770) is ethane;methoxymethylbenzene;N-methyl-1-phenylmethanamine;methylsulfanylmethylbenzene;propylbenzene.
What is the SMILES notation for ethane;methoxymethylbenzene;N-methyl-1-phenylmethanamine;methylsulfanylmethylbenzene;propylbenzene?
The canonical SMILES for ethane;methoxymethylbenzene;N-methyl-1-phenylmethanamine;methylsulfanylmethylbenzene;propylbenzene is CC.CC.CC.CC.CCCc1ccccc1.CNCc1ccccc1.COCc1ccccc1.CSCc1ccccc1.
What is the InChIKey of ethane;methoxymethylbenzene;N-methyl-1-phenylmethanamine;methylsulfanylmethylbenzene;propylbenzene?
The InChIKey is HUTNMUHDESHHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H11N.C8H10O.C8H10S.4C2H6/c1-2-6-9-7-4-3-5-8-9;3*1-9-7-8-5-3-2-4-6-8;4*1-2/h3-5,7-8H,2,6H2,1H3;2-6,9H,7H2,1H3;2*2-6H,7H2,1H3;4*1-2H3.
What are the key properties of ethane;methoxymethylbenzene;N-methyl-1-phenylmethanamine;methylsulfanylmethylbenzene;propylbenzene?
ethane;methoxymethylbenzene;N-methyl-1-phenylmethanamine;methylsulfanylmethylbenzene;propylbenzene has a molecular weight of 622.06 g/mol, XLogP of 12.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxymethylbenzene;N-methyl-1-phenylmethanamine;methylsulfanylmethylbenzene;propylbenzene is sourced from PubChem (CID 158593770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).