N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine

C19H25NS — CID 79212501

IUPACN-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine
SMILESCNC(c1ccc(CC(C)C)cc1)c1ccc(SC)cc1
InChIInChI=1S/C19H25NS/c1-14(2)13-15-5-7-16(8-6-15)19(20-3)17-9-11-18(21-4)12-10-17/h5-12,14,19-20H,13H2,1-4H3
InChIKeyINHXSWUBLAFLFO-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.92
Rot. Bonds6

About N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine

N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine (PubChem CID 79212501) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine
PubChem CID79212501
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine
SMILESCNC(c1ccc(CC(C)C)cc1)c1ccc(SC)cc1
InChIInChI=1S/C19H25NS/c1-14(2)13-15-5-7-16(8-6-15)19(20-3)17-9-11-18(21-4)12-10-17/h5-12,14,19-20H,13H2,1-4H3
InChIKeyINHXSWUBLAFLFO-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542
[4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol
CID 79217563
1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480546
1-(4-methoxyphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480574
4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline
CID 116952045
1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215702
1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480563
1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 115482274
N-methyl-1-(5-methylfuran-2-yl)-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480502
1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 81315749
1-(5-fluoro-2-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 63509375
N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine
CID 115790405

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine (CID 79212501) is N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine is CNC(c1ccc(CC(C)C)cc1)c1ccc(SC)cc1.
What is the InChIKey of N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine?
The InChIKey is INHXSWUBLAFLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-14(2)13-15-5-7-16(8-6-15)19(20-3)17-9-11-18(21-4)12-10-17/h5-12,14,19-20H,13H2,1-4H3.
What are the key properties of N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine?
N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine has a molecular weight of 299.48 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 79212501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).