1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine

C23H25NOS — CID 177043026

IUPAC1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(SCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C23H25NOS/c1-24(2)16-21-15-22(26-18-20-11-7-4-8-12-20)13-14-23(21)25-17-19-9-5-3-6-10-19/h3-15H,16-18H2,1-2H3
InChIKeyIXIPBBNXZBXZDI-UHFFFAOYSA-N
MW363.53 g/mol
LogP5.62
Rot. Bonds8

About 1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine

1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine (PubChem CID 177043026) has the molecular formula C23H25NOS and a molecular weight of 363.53 g/mol. Its IUPAC name is 1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine
PubChem CID177043026
Molecular FormulaC23H25NOS
Molecular Weight363.53 g/mol
Exact Mass363.17
IUPAC Name1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(SCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C23H25NOS/c1-24(2)16-21-15-22(26-18-20-11-7-4-8-12-20)13-14-23(21)25-17-19-9-5-3-6-10-19/h3-15H,16-18H2,1-2H3
InChIKeyIXIPBBNXZBXZDI-UHFFFAOYSA-N
XLogP5.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.53
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine 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

1-(5-benzylsulfanyl-2-propan-2-yloxyphenyl)-N,N-dimethylmethanamine
CID 177043052
1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
CID 1044030
benzyl 4-benzylsulfanyl-2-phenylmethoxybenzoate
CID 10813010
3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine
CID 20573271
1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine
CID 52935326
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
4-[(Z)-3-(5-methylsulfanyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoic acid
CID 70346049
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
2-tert-butyl-4-methylsulfanyl-1-phenylmethoxybenzene
CID 126677080
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014
1-benzylsulfanyl-4-methylsulfanylbenzene
CID 13058449

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine (CID 177043026) is 1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine is CN(C)Cc1cc(SCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of 1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine?
The InChIKey is IXIPBBNXZBXZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NOS/c1-24(2)16-21-15-22(26-18-20-11-7-4-8-12-20)13-14-23(21)25-17-19-9-5-3-6-10-19/h3-15H,16-18H2,1-2H3.
What are the key properties of 1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine?
1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine has a molecular weight of 363.53 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 177043026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).