2-phenyl-3-propylsulfanylpropan-1-amine

C12H19NS — CID 64535835

IUPAC2-phenyl-3-propylsulfanylpropan-1-amine
SMILESCCCSCC(CN)c1ccccc1
InChIInChI=1S/C12H19NS/c1-2-8-14-10-12(9-13)11-6-4-3-5-7-11/h3-7,12H,2,8-10,13H2,1H3
InChIKeyQNSMWONIMWKGDM-UHFFFAOYSA-N
MW209.36 g/mol
LogP2.87
Rot. Bonds6

About 2-phenyl-3-propylsulfanylpropan-1-amine

2-phenyl-3-propylsulfanylpropan-1-amine (PubChem CID 64535835) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2-phenyl-3-propylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-phenyl-3-propylsulfanylpropan-1-amine
PubChem CID64535835
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2-phenyl-3-propylsulfanylpropan-1-amine
SMILESCCCSCC(CN)c1ccccc1
InChIInChI=1S/C12H19NS/c1-2-8-14-10-12(9-13)11-6-4-3-5-7-11/h3-7,12H,2,8-10,13H2,1H3
InChIKeyQNSMWONIMWKGDM-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 52.87
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

2-phenylpentan-1-amine
CID 14321247
2-phenyl-3-phenylsulfanylpropan-1-amine
CID 64536034
N-methyl-1-phenyl-2-propylsulfanylethanamine
CID 64613859
3-[(3-methylphenyl)methylsulfanyl]-2-phenylpropan-1-amine
CID 64538465
2-phenylundecan-1-amine
CID 57256894
4-butoxy-2-phenylbutan-1-amine
CID 65429103
2-butylsulfanyl-1-phenylethanamine
CID 63771735
N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107
5-ethyl-2-phenylheptan-1-amine
CID 82935011
2-phenylbutane-1,4-diamine
CID 16770348
N-(1-phenyl-2-propylsulfanylethyl)acetamide
CID 141414603
3-methoxy-2-phenylpropan-1-amine
CID 66968828

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-propylsulfanylpropan-1-amine?
The IUPAC name of 2-phenyl-3-propylsulfanylpropan-1-amine (CID 64535835) is 2-phenyl-3-propylsulfanylpropan-1-amine.
What is the SMILES notation for 2-phenyl-3-propylsulfanylpropan-1-amine?
The canonical SMILES for 2-phenyl-3-propylsulfanylpropan-1-amine is CCCSCC(CN)c1ccccc1.
What is the InChIKey of 2-phenyl-3-propylsulfanylpropan-1-amine?
The InChIKey is QNSMWONIMWKGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-2-8-14-10-12(9-13)11-6-4-3-5-7-11/h3-7,12H,2,8-10,13H2,1H3.
What are the key properties of 2-phenyl-3-propylsulfanylpropan-1-amine?
2-phenyl-3-propylsulfanylpropan-1-amine has a molecular weight of 209.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-propylsulfanylpropan-1-amine is sourced from PubChem (CID 64535835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).