2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine

C15H25NS — CID 116544446

IUPAC2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(N)CSCC(C)C)c1
InChIInChI=1S/C15H25NS/c1-4-6-13-7-5-8-14(9-13)15(16)11-17-10-12(2)3/h5,7-9,12,15H,4,6,10-11,16H2,1-3H3
InChIKeySANBKHXMVMGIIO-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.03
Rot. Bonds7

About 2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine

2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine (PubChem CID 116544446) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine
PubChem CID116544446
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine
SMILESCCCc1cccc(C(N)CSCC(C)C)c1
InChIInChI=1S/C15H25NS/c1-4-6-13-7-5-8-14(9-13)15(16)11-17-10-12(2)3/h5,7-9,12,15H,4,6,10-11,16H2,1-3H3
InChIKeySANBKHXMVMGIIO-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-propylphenyl)ethanamine
CID 116543909
2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine
CID 116544598
3-methyl-1-(3-propylphenyl)pentan-1-amine
CID 105050445
1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105188013
2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine
CID 116544264
2-methyl-3-(3-propylphenyl)butan-1-amine
CID 116546394
2-cycloheptyl-1-(3-propylphenyl)ethanamine
CID 105050523
1-(3-chlorobutan-2-yl)-3-propylbenzene
CID 116545543
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
3-(furan-2-yl)-1-(3-propylphenyl)propan-1-amine
CID 105187906
(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834
2-(2-methylpropylsulfanyl)-1-(4-phenylphenyl)ethanamine
CID 64609674

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine?
The IUPAC name of 2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine (CID 116544446) is 2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine?
The canonical SMILES for 2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine is CCCc1cccc(C(N)CSCC(C)C)c1.
What is the InChIKey of 2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine?
The InChIKey is SANBKHXMVMGIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-6-13-7-5-8-14(9-13)15(16)11-17-10-12(2)3/h5,7-9,12,15H,4,6,10-11,16H2,1-3H3.
What are the key properties of 2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine?
2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine has a molecular weight of 251.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine is sourced from PubChem (CID 116544446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).