N-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine

C15H24BrNS — CID 103522476

IUPACN-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine
SMILESCSCCCCCNC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H24BrNS/c1-13(17-10-4-3-5-11-18-2)12-14-6-8-15(16)9-7-14/h6-9,13,17H,3-5,10-12H2,1-2H3
InChIKeyFJBNNZXTVSJJDK-UHFFFAOYSA-N
MW330.33 g/mol
LogP4.50
Rot. Bonds9

About N-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine

N-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine (PubChem CID 103522476) has the molecular formula C15H24BrNS and a molecular weight of 330.33 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine
PubChem CID103522476
Molecular FormulaC15H24BrNS
Molecular Weight330.33 g/mol
Exact Mass329.08
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine
SMILESCSCCCCCNC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H24BrNS/c1-13(17-10-4-3-5-11-18-2)12-14-6-8-15(16)9-7-14/h6-9,13,17H,3-5,10-12H2,1-2H3
InChIKeyFJBNNZXTVSJJDK-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 54.50
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-[1-(4-bromophenyl)propan-2-yl]-4-methylsulfanylbutan-1-amine
CID 103087520
1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 18790284
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706199
1-(3-chlorophenyl)-N-(3-methylsulfanylpropyl)propan-2-amine
CID 43694732
(E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine
CID 103522298
1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 103522285
N-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide
CID 103522177
4-[2-(decylamino)propyl]phenol
CID 115494442
5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine
CID 110174705
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 115721526
N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine
CID 106675197

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine (CID 103522476) is N-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine is CSCCCCCNC(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine?
The InChIKey is FJBNNZXTVSJJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-13(17-10-4-3-5-11-18-2)12-14-6-8-15(16)9-7-14/h6-9,13,17H,3-5,10-12H2,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine?
N-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine has a molecular weight of 330.33 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine is sourced from PubChem (CID 103522476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).