1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine

C16H18BrNS — CID 55015807

IUPAC1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine
SMILESCc1cccc(SC(c2ccc(Br)cc2)C(C)N)c1
InChIInChI=1S/C16H18BrNS/c1-11-4-3-5-15(10-11)19-16(12(2)18)13-6-8-14(17)9-7-13/h3-10,12,16H,18H2,1-2H3
InChIKeyLDHGAUVVKOMRSJ-UHFFFAOYSA-N
MW336.30 g/mol
LogP4.94
Rot. Bonds4

About 1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine

1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine (PubChem CID 55015807) has the molecular formula C16H18BrNS and a molecular weight of 336.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine
PubChem CID55015807
Molecular FormulaC16H18BrNS
Molecular Weight336.30 g/mol
Exact Mass335.03
IUPAC Name1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine
SMILESCc1cccc(SC(c2ccc(Br)cc2)C(C)N)c1
InChIInChI=1S/C16H18BrNS/c1-11-4-3-5-15(10-11)19-16(12(2)18)13-6-8-14(17)9-7-13/h3-10,12,16H,18H2,1-2H3
InChIKeyLDHGAUVVKOMRSJ-UHFFFAOYSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017009
1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 63537081
1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine
CID 55020378
1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine
CID 62645584
1-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)propan-2-amine
CID 63538416
1-(3-methylphenyl)sulfanylethanamine
CID 117032496
1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine
CID 55019396
1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017283
ethane;1-methyl-3-propan-2-ylsulfanylbenzene
CID 172609121
3-amino-2-(3-methylphenyl)sulfanylbutan-1-ol
CID 64899617
1-(3-chlorophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 62647172
1-(2-bromophenyl)sulfanyl-1-(4-methylphenyl)propan-2-amine
CID 55016619

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine (CID 55015807) is 1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine is Cc1cccc(SC(c2ccc(Br)cc2)C(C)N)c1.
What is the InChIKey of 1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is LDHGAUVVKOMRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNS/c1-11-4-3-5-15(10-11)19-16(12(2)18)13-6-8-14(17)9-7-13/h3-10,12,16H,18H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine?
1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 336.30 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(3-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 55015807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).