2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine

C16H27NS — CID 63983664

IUPAC2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
SMILESCCCc1ccc(C(C)NCC(C)CSC)cc1
InChIInChI=1S/C16H27NS/c1-5-6-15-7-9-16(10-8-15)14(3)17-11-13(2)12-18-4/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyXTESLIROLYTSIV-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.29
Rot. Bonds8

About 2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine

2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine (PubChem CID 63983664) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
PubChem CID63983664
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
SMILESCCCc1ccc(C(C)NCC(C)CSC)cc1
InChIInChI=1S/C16H27NS/c1-5-6-15-7-9-16(10-8-15)14(3)17-11-13(2)12-18-4/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyXTESLIROLYTSIV-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine
CID 63964174
(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 63981698
[4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea
CID 63983873
1-[1-(4-butylphenyl)ethylamino]propan-2-ol
CID 43499262
4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63958315
1-(4-propylphenyl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 106426162
2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103785297
2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide
CID 30045539

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine (CID 63983664) is 2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine is CCCc1ccc(C(C)NCC(C)CSC)cc1.
What is the InChIKey of 2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine?
The InChIKey is XTESLIROLYTSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-5-6-15-7-9-16(10-8-15)14(3)17-11-13(2)12-18-4/h7-10,13-14,17H,5-6,11-12H2,1-4H3.
What are the key properties of 2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine?
2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63983664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).