1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine

C18H22BrNS — CID 66055714

IUPAC1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccc(Br)cc1)Cc1ccccc1
InChIInChI=1S/C18H22BrNS/c1-2-12-20-17(13-15-6-4-3-5-7-15)14-21-18-10-8-16(19)9-11-18/h3-11,17,20H,2,12-14H2,1H3
InChIKeySIEWRQFWZYMSOQ-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.15
Rot. Bonds8

About 1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine

1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine (PubChem CID 66055714) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
PubChem CID66055714
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC Name1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccc(Br)cc1)Cc1ccccc1
InChIInChI=1S/C18H22BrNS/c1-2-12-20-17(13-15-6-4-3-5-7-15)14-21-18-10-8-16(19)9-11-18/h3-11,17,20H,2,12-14H2,1H3
InChIKeySIEWRQFWZYMSOQ-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66087790
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
3-phenylsulfanyl-2-(propylamino)propan-1-ol
CID 64819067
1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine
CID 65136095
1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine
CID 65143155
1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
CID 104801214
1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine
CID 60817947
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 66055509
1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine
CID 64648095
1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 65128704
1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
CID 83176061

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine (CID 66055714) is 1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine is CCCNC(CSc1ccc(Br)cc1)Cc1ccccc1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine?
The InChIKey is SIEWRQFWZYMSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c1-2-12-20-17(13-15-6-4-3-5-7-15)14-21-18-10-8-16(19)9-11-18/h3-11,17,20H,2,12-14H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine?
1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine has a molecular weight of 364.35 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine is sourced from PubChem (CID 66055714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).