2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine

C17H29NS — CID 63964174

IUPAC2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H29NS/c1-13(2)10-16-6-8-17(9-7-16)15(4)18-11-14(3)12-19-5/h6-9,13-15,18H,10-12H2,1-5H3
InChIKeyRDIBPKIGIRBNFL-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.53
Rot. Bonds8

About 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine

2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine (PubChem CID 63964174) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine
PubChem CID63964174
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H29NS/c1-13(2)10-16-6-8-17(9-7-16)15(4)18-11-14(3)12-19-5/h6-9,13-15,18H,10-12H2,1-5H3
InChIKeyRDIBPKIGIRBNFL-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-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

2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 63983664
2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile
CID 60647965
2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine
CID 79538272
2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 63981698
3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol
CID 106114426
[4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea
CID 63983873
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol
CID 63239146
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol
CID 103785241
3-ethylsulfanyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine
CID 116503707
2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine
CID 113464994
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63822061

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine (CID 63964174) is 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine is CSCC(C)CNC(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is RDIBPKIGIRBNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-13(2)10-16-6-8-17(9-7-16)15(4)18-11-14(3)12-19-5/h6-9,13-15,18H,10-12H2,1-5H3.
What are the key properties of 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine?
2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 63964174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).