1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine

C15H18BrNS — CID 62621109

IUPAC1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine
SMILESCc1ccc(C(C)(N)Cc2cc(Br)cs2)cc1C
InChIInChI=1S/C15H18BrNS/c1-10-4-5-12(6-11(10)2)15(3,17)8-14-7-13(16)9-18-14/h4-7,9H,8,17H2,1-3H3
InChIKeyRHCVNRRXRKEVRM-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.54
Rot. Bonds3

About 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine

1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine (PubChem CID 62621109) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine
PubChem CID62621109
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine
SMILESCc1ccc(C(C)(N)Cc2cc(Br)cs2)cc1C
InChIInChI=1S/C15H18BrNS/c1-10-4-5-12(6-11(10)2)15(3,17)8-14-7-13(16)9-18-14/h4-7,9H,8,17H2,1-3H3
InChIKeyRHCVNRRXRKEVRM-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65146285
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 63411763
1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 105403015
2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82870328
3-amino-3-(3,4-dimethylphenyl)butan-1-ol
CID 65239742
4-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropan-2-yl]aniline
CID 80556115
1-(3,4-dimethylphenyl)-2-(4-ethylphenyl)propan-2-amine
CID 63408206
2-[4-[(4-bromothiophen-2-yl)methyl]phenyl]-2-methylpropanoic acid
CID 84612021
4-bromo-2-[3-chloro-2-(chloromethyl)-2-(4-fluorophenyl)propyl]thiophene
CID 79453821
N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline
CID 28972942
4-(3,4-dimethylphenyl)-4,4-difluoro-2-methylbutan-2-amine
CID 116839496
2-(4-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropanamide
CID 80556329

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine (CID 62621109) is 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine is Cc1ccc(C(C)(N)Cc2cc(Br)cs2)cc1C.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine?
The InChIKey is RHCVNRRXRKEVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-10-4-5-12(6-11(10)2)15(3,17)8-14-7-13(16)9-18-14/h4-7,9H,8,17H2,1-3H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine?
1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine has a molecular weight of 324.29 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 62621109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).