N-[(3-pentylsulfanylphenyl)methyl]ethanamine

C14H23NS — CID 66348037

IUPACN-[(3-pentylsulfanylphenyl)methyl]ethanamine
SMILESCCCCCSc1cccc(CNCC)c1
InChIInChI=1S/C14H23NS/c1-3-5-6-10-16-14-9-7-8-13(11-14)12-15-4-2/h7-9,11,15H,3-6,10,12H2,1-2H3
InChIKeyJTFLIKALOWRSIY-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.08
Rot. Bonds8

About N-[(3-pentylsulfanylphenyl)methyl]ethanamine

N-[(3-pentylsulfanylphenyl)methyl]ethanamine (PubChem CID 66348037) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[(3-pentylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-pentylsulfanylphenyl)methyl]ethanamine
PubChem CID66348037
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[(3-pentylsulfanylphenyl)methyl]ethanamine
SMILESCCCCCSc1cccc(CNCC)c1
InChIInChI=1S/C14H23NS/c1-3-5-6-10-16-14-9-7-8-13(11-14)12-15-4-2/h7-9,11,15H,3-6,10,12H2,1-2H3
InChIKeyJTFLIKALOWRSIY-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-propylsulfanylphenyl)methyl]ethanamine
CID 66347645
N-[(3-nonylsulfanylphenyl)methyl]propan-1-amine
CID 66348443
5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol
CID 66348613
2-methyl-N-[(3-pentylsulfanylphenyl)methyl]propan-1-amine
CID 66349687
4-[3-(propylaminomethyl)phenyl]sulfanylbutan-1-ol
CID 66347276
(3-pentylsulfanylphenyl)methanol
CID 66347769
2-methyl-N-[(3-octylsulfanylphenyl)methyl]propan-2-amine
CID 66349477
4-[3-(ethylaminomethyl)phenyl]sulfanyl-N-methylbutanamide
CID 66349601
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine
CID 66349608
N-[[3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]phenyl]methyl]ethanamine
CID 112591913
N-[(3-pent-3-ynylsulfanylphenyl)methyl]ethanamine
CID 104811494
N-[[3-(3-ethoxypropylsulfanyl)phenyl]methyl]propan-1-amine
CID 66347667

Frequently Asked Questions

What is the IUPAC name of N-[(3-pentylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-pentylsulfanylphenyl)methyl]ethanamine (CID 66348037) is N-[(3-pentylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-pentylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-pentylsulfanylphenyl)methyl]ethanamine is CCCCCSc1cccc(CNCC)c1.
What is the InChIKey of N-[(3-pentylsulfanylphenyl)methyl]ethanamine?
The InChIKey is JTFLIKALOWRSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-3-5-6-10-16-14-9-7-8-13(11-14)12-15-4-2/h7-9,11,15H,3-6,10,12H2,1-2H3.
What are the key properties of N-[(3-pentylsulfanylphenyl)methyl]ethanamine?
N-[(3-pentylsulfanylphenyl)methyl]ethanamine has a molecular weight of 237.41 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pentylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 66348037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).