N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine

C15H25NS — CID 66347067

IUPACN-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine
SMILESCCCC(C)CSc1cccc(CNCC)c1
InChIInChI=1S/C15H25NS/c1-4-7-13(3)12-17-15-9-6-8-14(10-15)11-16-5-2/h6,8-10,13,16H,4-5,7,11-12H2,1-3H3
InChIKeyWXHNJUBHSJXKRU-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.32
Rot. Bonds8

About N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine

N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine (PubChem CID 66347067) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine
PubChem CID66347067
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine
SMILESCCCC(C)CSc1cccc(CNCC)c1
InChIInChI=1S/C15H25NS/c1-4-7-13(3)12-17-15-9-6-8-14(10-15)11-16-5-2/h6,8-10,13,16H,4-5,7,11-12H2,1-3H3
InChIKeyWXHNJUBHSJXKRU-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine
CID 66348917
N-[(3-propylsulfanylphenyl)methyl]ethanamine
CID 66347645
2-methyl-N-[[3-(2-methylbutylsulfanyl)phenyl]methyl]propan-1-amine
CID 66349105
N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine
CID 66349587
N-[(3-pentylsulfanylphenyl)methyl]ethanamine
CID 66348037
2-[3-(ethylaminomethyl)phenyl]sulfanylacetonitrile
CID 66347852
N-[(3-pent-3-ynylsulfanylphenyl)methyl]ethanamine
CID 104811494
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine
CID 66349608
N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 66348810
N-pentan-2-yl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide
CID 66347676
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 66347840
5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol
CID 66348613

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine (CID 66347067) is N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine is CCCC(C)CSc1cccc(CNCC)c1.
What is the InChIKey of N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine?
The InChIKey is WXHNJUBHSJXKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-7-13(3)12-17-15-9-6-8-14(10-15)11-16-5-2/h6,8-10,13,16H,4-5,7,11-12H2,1-3H3.
What are the key properties of N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine?
N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine has a molecular weight of 251.44 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 66347067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).