N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine

C17H29NOS — CID 107763360

IUPACN-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
SMILESCCCNC(CSC(C)C(C)C)c1ccccc1OC
InChIInChI=1S/C17H29NOS/c1-6-11-18-16(12-20-14(4)13(2)3)15-9-7-8-10-17(15)19-5/h7-10,13-14,16,18H,6,11-12H2,1-5H3
InChIKeyLKUPIRKFQWIKEI-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.51
Rot. Bonds9

About N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine

N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine (PubChem CID 107763360) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
PubChem CID107763360
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC NameN-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
SMILESCCCNC(CSC(C)C(C)C)c1ccccc1OC
InChIInChI=1S/C17H29NOS/c1-6-11-18-16(12-20-14(4)13(2)3)15-9-7-8-10-17(15)19-5/h7-10,13-14,16,18H,6,11-12H2,1-5H3
InChIKeyLKUPIRKFQWIKEI-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 64633258
N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine
CID 107763020
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[1-(2,6-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 116810465
2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 116720529
3-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 66437216
N-[1-(2-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]propan-1-amine
CID 104604633
1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 113455163
N-[1-(2-methoxyphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551587
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474078
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
N-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82877328

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine (CID 107763360) is N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine is CCCNC(CSC(C)C(C)C)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine?
The InChIKey is LKUPIRKFQWIKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-6-11-18-16(12-20-14(4)13(2)3)15-9-7-8-10-17(15)19-5/h7-10,13-14,16,18H,6,11-12H2,1-5H3.
What are the key properties of N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine?
N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine has a molecular weight of 295.49 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 107763360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).