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

C14H22BrNS — CID 64633184

IUPAC2-(3-bromophenyl)sulfanyl-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)Sc1cccc(Br)c1
InChIInChI=1S/C14H22BrNS/c1-4-9-16-14(5-2)11(3)17-13-8-6-7-12(15)10-13/h6-8,10-11,14,16H,4-5,9H2,1-3H3
InChIKeyKCMOJOJDZIVLAA-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.71
Rot. Bonds7

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

2-(3-bromophenyl)sulfanyl-N-propylpentan-3-amine (PubChem CID 64633184) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-N-propylpentan-3-amine
PubChem CID64633184
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC Name2-(3-bromophenyl)sulfanyl-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)Sc1cccc(Br)c1
InChIInChI=1S/C14H22BrNS/c1-4-9-16-14(5-2)11(3)17-13-8-6-7-12(15)10-13/h6-8,10-11,14,16H,4-5,9H2,1-3H3
InChIKeyKCMOJOJDZIVLAA-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-propylpentan-2-amine
CID 64704073
N-[2-(3-bromophenyl)sulfanylpropyl]pentan-3-amine
CID 63516309
2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine
CID 64619962
2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
CID 64634165
N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 82956925
4-(3-bromophenyl)sulfanyl-N-methylpentan-2-amine
CID 64704253
1-(3-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine
CID 79184974
methyl 4-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanoate
CID 64704732
N-[2-(3-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 66160810
3-(3-bromophenyl)sulfanyl-2-methylbutanoic acid
CID 79391052
methyl 3-(3-bromophenyl)sulfanyl-2-(propylamino)propanoate
CID 55120204
1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715984

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-N-propylpentan-3-amine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-N-propylpentan-3-amine (CID 64633184) is 2-(3-bromophenyl)sulfanyl-N-propylpentan-3-amine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-N-propylpentan-3-amine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-N-propylpentan-3-amine is CCCNC(CC)C(C)Sc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-N-propylpentan-3-amine?
The InChIKey is KCMOJOJDZIVLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-4-9-16-14(5-2)11(3)17-13-8-6-7-12(15)10-13/h6-8,10-11,14,16H,4-5,9H2,1-3H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-N-propylpentan-3-amine?
2-(3-bromophenyl)sulfanyl-N-propylpentan-3-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 2-(3-bromophenyl)sulfanyl-N-propylpentan-3-amine is sourced from PubChem (CID 64633184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).