1-(4-pentylsulfanylphenyl)propan-1-amine

C14H23NS — CID 44613814

IUPAC1-(4-pentylsulfanylphenyl)propan-1-amine
SMILESCCCCCSc1ccc(C(N)CC)cc1
InChIInChI=1S/C14H23NS/c1-3-5-6-11-16-13-9-7-12(8-10-13)14(15)4-2/h7-10,14H,3-6,11,15H2,1-2H3
InChIKeyMLNFJHDSSYRDFN-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.38
Rot. Bonds7

About 1-(4-pentylsulfanylphenyl)propan-1-amine

1-(4-pentylsulfanylphenyl)propan-1-amine (PubChem CID 44613814) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 1-(4-pentylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-pentylsulfanylphenyl)propan-1-amine
PubChem CID44613814
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name1-(4-pentylsulfanylphenyl)propan-1-amine
SMILESCCCCCSc1ccc(C(N)CC)cc1
InChIInChI=1S/C14H23NS/c1-3-5-6-11-16-13-9-7-12(8-10-13)14(15)4-2/h7-10,14H,3-6,11,15H2,1-2H3
InChIKeyMLNFJHDSSYRDFN-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.38
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

4-Methylthioamphetamine
CID 151900
2-N-Ethylamino-1-(4-methylthiophenyl)propane
CID 21978439
N,N-dimethyl-1-[4-(methylsulfanyl)phenyl]propan-2-amine
CID 46882974
Ethanethiol, 2-amino-2-phenyl-
CID 19043007
4-Methylsulfonylbenzylamine
CID 57421
4-(Methylthio)benzylamine
CID 2760080
(S)-2-amino-1-(4-butylthiophenyl)-propane
CID 23661626
(S)-2-Amino-2-phenyl-ethanethiol
CID 44284631
2-Amino-1-(4-ethylthiophenyl)propane
CID 44399737
(S)-2-amino-1-(4-methylthiophenyl)-propane
CID 44424446
(S)-2-amino-1-(4-ethylthiophenyl)-propane
CID 44424447
(S)-2-amino-1-(4-propylthiophenyl)-propane
CID 44424448

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentylsulfanylphenyl)propan-1-amine?
The IUPAC name of 1-(4-pentylsulfanylphenyl)propan-1-amine (CID 44613814) is 1-(4-pentylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for 1-(4-pentylsulfanylphenyl)propan-1-amine?
The canonical SMILES for 1-(4-pentylsulfanylphenyl)propan-1-amine is CCCCCSc1ccc(C(N)CC)cc1.
What is the InChIKey of 1-(4-pentylsulfanylphenyl)propan-1-amine?
The InChIKey is MLNFJHDSSYRDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-3-5-6-11-16-13-9-7-12(8-10-13)14(15)4-2/h7-10,14H,3-6,11,15H2,1-2H3.
What are the key properties of 1-(4-pentylsulfanylphenyl)propan-1-amine?
1-(4-pentylsulfanylphenyl)propan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 44613814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).