N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine

C15H16BrNOS — CID 79602381

IUPACN-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2cscc2Br)cc1CNC1CC1
InChIInChI=1S/C15H16BrNOS/c1-18-15-5-2-10(13-8-19-9-14(13)16)6-11(15)7-17-12-3-4-12/h2,5-6,8-9,12,17H,3-4,7H2,1H3
InChIKeyKIZWGPRLMKPPSQ-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.44
Rot. Bonds5

About N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine

N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine (PubChem CID 79602381) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine
PubChem CID79602381
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC NameN-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2cscc2Br)cc1CNC1CC1
InChIInChI=1S/C15H16BrNOS/c1-18-15-5-2-10(13-8-19-9-14(13)16)6-11(15)7-17-12-3-4-12/h2,5-6,8-9,12,17H,3-4,7H2,1H3
InChIKeyKIZWGPRLMKPPSQ-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine
CID 79601552
N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 61025295
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
[4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride
CID 69166582
N-[(5-bromo-2,4-dimethoxyphenyl)methyl]cycloheptanamine
CID 791926
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[[2-methoxy-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 134817377
4-N-[[5-(6-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]-1-N-methylcyclohexane-1,4-diamine
CID 69165178
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
N-[(2,5-dimethoxyphenyl)methyl]thian-4-amine
CID 115578053
4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride
CID 69165157

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine (CID 79602381) is N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine is COc1ccc(-c2cscc2Br)cc1CNC1CC1.
What is the InChIKey of N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine?
The InChIKey is KIZWGPRLMKPPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-18-15-5-2-10(13-8-19-9-14(13)16)6-11(15)7-17-12-3-4-12/h2,5-6,8-9,12,17H,3-4,7H2,1H3.
What are the key properties of N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine?
N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine has a molecular weight of 338.27 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 79602381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).