N-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine

C12H17Cl2NS — CID 115664557

IUPACN-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
SMILESCSC(C)(C)CNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NS/c1-12(2,16-3)8-15-7-9-4-5-10(13)6-11(9)14/h4-6,15H,7-8H2,1-3H3
InChIKeySFYSBGFVRFGTFJ-UHFFFAOYSA-N
MW278.25 g/mol
LogP4.22
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine

N-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine (PubChem CID 115664557) has the molecular formula C12H17Cl2NS and a molecular weight of 278.25 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
PubChem CID115664557
Molecular FormulaC12H17Cl2NS
Molecular Weight278.25 g/mol
Exact Mass277.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
SMILESCSC(C)(C)CNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NS/c1-12(2,16-3)8-15-7-9-4-5-10(13)6-11(9)14/h4-6,15H,7-8H2,1-3H3
InChIKeySFYSBGFVRFGTFJ-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine 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-N-[(2,4-dichlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222295
1-N-[(2,4-dichlorophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200655
N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 102615967
4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 103708139
tert-butyl N-[1-[(2,4-dichlorophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249857
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720305
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664419
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine (CID 115664557) is N-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine is CSC(C)(C)CNCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine?
The InChIKey is SFYSBGFVRFGTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NS/c1-12(2,16-3)8-15-7-9-4-5-10(13)6-11(9)14/h4-6,15H,7-8H2,1-3H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine?
N-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine has a molecular weight of 278.25 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115664557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).