4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine

C14H22BrNS — CID 64704073

IUPAC4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)Sc1cccc(Br)c1
InChIInChI=1S/C14H22BrNS/c1-4-8-16-11(2)9-12(3)17-14-7-5-6-13(15)10-14/h5-7,10-12,16H,4,8-9H2,1-3H3
InChIKeyDALGNNGQXWENSJ-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.71
Rot. Bonds7

About 4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine

4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine (PubChem CID 64704073) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine
PubChem CID64704073
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC Name4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)Sc1cccc(Br)c1
InChIInChI=1S/C14H22BrNS/c1-4-8-16-11(2)9-12(3)17-14-7-5-6-13(15)10-14/h5-7,10-12,16H,4,8-9H2,1-3H3
InChIKeyDALGNNGQXWENSJ-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromophenyl)sulfanyl-N-methylpentan-2-amine
CID 64704253
2-(3-bromophenyl)sulfanyl-N-propylpentan-3-amine
CID 64633184
N-[2-(3-bromophenyl)sulfanylpropyl]pentan-3-amine
CID 63516309
N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 82956925
methyl 4-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanoate
CID 64704732
4-(2,4-difluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 64702656
5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 64716821
N-[2-(3-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 66160810
2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
CID 64634165
methyl 3-(3-bromophenyl)sulfanyl-2-(propylamino)propanoate
CID 55120204
1-(3-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine
CID 79184974
4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol
CID 64806731

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine?
The IUPAC name of 4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine (CID 64704073) is 4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine?
The canonical SMILES for 4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine is CCCNC(C)CC(C)Sc1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine?
The InChIKey is DALGNNGQXWENSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-4-8-16-11(2)9-12(3)17-14-7-5-6-13(15)10-14/h5-7,10-12,16H,4,8-9H2,1-3H3.
What are the key properties of 4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine?
4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine has a molecular weight of 316.31 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine is sourced from PubChem (CID 64704073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).