N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine

C16H16BrNS — CID 55240005

IUPACN-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine
SMILESBrc1ccc(Sc2ccc(CNC3CC3)cc2)cc1
InChIInChI=1S/C16H16BrNS/c17-13-3-9-16(10-4-13)19-15-7-1-12(2-8-15)11-18-14-5-6-14/h1-4,7-10,14,18H,5-6,11H2
InChIKeyXXYUPNKGWSXBHO-UHFFFAOYSA-N
MW334.28 g/mol
LogP4.85
Rot. Bonds5

About N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine

N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine (PubChem CID 55240005) has the molecular formula C16H16BrNS and a molecular weight of 334.28 g/mol. Its IUPAC name is N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine
PubChem CID55240005
Molecular FormulaC16H16BrNS
Molecular Weight334.28 g/mol
Exact Mass333.02
IUPAC NameN-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine
SMILESBrc1ccc(Sc2ccc(CNC3CC3)cc2)cc1
InChIInChI=1S/C16H16BrNS/c17-13-3-9-16(10-4-13)19-15-7-1-12(2-8-15)11-18-14-5-6-14/h1-4,7-10,14,18H,5-6,11H2
InChIKeyXXYUPNKGWSXBHO-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine
CID 63805737
N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
CID 17289669
N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122665
N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine
CID 43282937
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
N-[[4-(4-nitrophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63808521
N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082609
N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755336
N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine
CID 90423096
N-[[1-[(4-bromophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66406788
N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63807786
N-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63806091

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine (CID 55240005) is N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine is Brc1ccc(Sc2ccc(CNC3CC3)cc2)cc1.
What is the InChIKey of N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine?
The InChIKey is XXYUPNKGWSXBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNS/c17-13-3-9-16(10-4-13)19-15-7-1-12(2-8-15)11-18-14-5-6-14/h1-4,7-10,14,18H,5-6,11H2.
What are the key properties of N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine?
N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine has a molecular weight of 334.28 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 55240005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).