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

C16H18BrNS — CID 66098425

IUPAC1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccccc1SCC(N)Cc1ccccc1Br
InChIInChI=1S/C16H18BrNS/c1-12-6-2-5-9-16(12)19-11-14(18)10-13-7-3-4-8-15(13)17/h2-9,14H,10-11,18H2,1H3
InChIKeyCWVLMTAGKJQNSV-UHFFFAOYSA-N
MW336.30 g/mol
LogP4.42
Rot. Bonds5

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

1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine (PubChem CID 66098425) has the molecular formula C16H18BrNS and a molecular weight of 336.30 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
PubChem CID66098425
Molecular FormulaC16H18BrNS
Molecular Weight336.30 g/mol
Exact Mass335.03
IUPAC Name1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccccc1SCC(N)Cc1ccccc1Br
InChIInChI=1S/C16H18BrNS/c1-12-6-2-5-9-16(12)19-11-14(18)10-13-7-3-4-8-15(13)17/h2-9,14H,10-11,18H2,1H3
InChIKeyCWVLMTAGKJQNSV-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096526
1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098427
1-(5-chloro-2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 103048816
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097361
1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097364
1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66099254
1-(2-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 66145230
1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 106645751
1-(3-chlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098008
1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine
CID 66144457
1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
CID 66143280
4-(2-bromophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 82379119

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine (CID 66098425) is 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine is Cc1ccccc1SCC(N)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is CWVLMTAGKJQNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNS/c1-12-6-2-5-9-16(12)19-11-14(18)10-13-7-3-4-8-15(13)17/h2-9,14H,10-11,18H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine?
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 336.30 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66098425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).