N-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine

C24H27NO2S — CID 167163492

IUPACN-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)Sc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C24H27NO2S/c1-18-5-14-24(15-19(18)2)28-25(16-20-6-10-22(26-3)11-7-20)17-21-8-12-23(27-4)13-9-21/h5-15H,16-17H2,1-4H3
InChIKeyPONLZYUPPKGFDV-UHFFFAOYSA-N
MW393.55 g/mol
LogP6.03
Rot. Bonds8

About N-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine

N-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine (PubChem CID 167163492) has the molecular formula C24H27NO2S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine
PubChem CID167163492
Molecular FormulaC24H27NO2S
Molecular Weight393.55 g/mol
Exact Mass393.18
IUPAC NameN-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)Sc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C24H27NO2S/c1-18-5-14-24(15-19(18)2)28-25(16-20-6-10-22(26-3)11-7-20)17-21-8-12-23(27-4)13-9-21/h5-15H,16-17H2,1-4H3
InChIKeyPONLZYUPPKGFDV-UHFFFAOYSA-N
XLogP6.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.55
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene
CID 58598667
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241
ethane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]sulfanylmethanamine
CID 143659829
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 43099095
1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43218862
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzene
CID 63427622
N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-methoxybenzenesulfonamide
CID 31392089
2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43413679
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methanol
CID 63814136

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine?
The IUPAC name of N-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine (CID 167163492) is N-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for N-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine?
The canonical SMILES for N-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine is COc1ccc(CN(Cc2ccc(OC)cc2)Sc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine?
The InChIKey is PONLZYUPPKGFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2S/c1-18-5-14-24(15-19(18)2)28-25(16-20-6-10-22(26-3)11-7-20)17-21-8-12-23(27-4)13-9-21/h5-15H,16-17H2,1-4H3.
What are the key properties of N-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine?
N-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine has a molecular weight of 393.55 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 167163492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).