N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine

C18H22BrNS — CID 63521195

IUPACN-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine
SMILESCc1cccc(CC(CNC2CC2)Cc2ccc(Br)s2)c1
InChIInChI=1S/C18H22BrNS/c1-13-3-2-4-14(9-13)10-15(12-20-16-5-6-16)11-17-7-8-18(19)21-17/h2-4,7-9,15-16,20H,5-6,10-12H2,1H3
InChIKeyFZKYXJODVIICEW-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.97
Rot. Bonds7

About N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine

N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine (PubChem CID 63521195) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine
PubChem CID63521195
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC NameN-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine
SMILESCc1cccc(CC(CNC2CC2)Cc2ccc(Br)s2)c1
InChIInChI=1S/C18H22BrNS/c1-13-3-2-4-14(9-13)10-15(12-20-16-5-6-16)11-17-7-8-18(19)21-17/h2-4,7-9,15-16,20H,5-6,10-12H2,1H3
InChIKeyFZKYXJODVIICEW-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 62531282
2-bromo-5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]thiophene
CID 66041103
N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine
CID 62531192
N-[2-(methoxymethyl)-3-(3-methylphenyl)propyl]cyclopropanamine
CID 113361834
N-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine
CID 63019452
2-[(3-bromophenyl)methyl]-3-(5-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 63522640
N-[2-[(3-methylphenyl)methyl]-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine
CID 116617646
N-[2-cycloheptyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 82933526
N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79440980
2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine
CID 63496730
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine
CID 63523373

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine?
The IUPAC name of N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine (CID 63521195) is N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine is Cc1cccc(CC(CNC2CC2)Cc2ccc(Br)s2)c1.
What is the InChIKey of N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine?
The InChIKey is FZKYXJODVIICEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c1-13-3-2-4-14(9-13)10-15(12-20-16-5-6-16)11-17-7-8-18(19)21-17/h2-4,7-9,15-16,20H,5-6,10-12H2,1H3.
What are the key properties of N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine?
N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine has a molecular weight of 364.35 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine is sourced from PubChem (CID 63521195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).