(5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine

C14H14BrNS — CID 105189029

IUPAC(5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine
SMILESNC(c1csc(Br)c1)C1CC1c1ccccc1
InChIInChI=1S/C14H14BrNS/c15-13-6-10(8-17-13)14(16)12-7-11(12)9-4-2-1-3-5-9/h1-6,8,11-12,14H,7,16H2
InChIKeyCKRCLYUFLCRUGJ-UHFFFAOYSA-N
MW308.24 g/mol
LogP4.31
Rot. Bonds3

About (5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine

(5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine (PubChem CID 105189029) has the molecular formula C14H14BrNS and a molecular weight of 308.24 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine
PubChem CID105189029
Molecular FormulaC14H14BrNS
Molecular Weight308.24 g/mol
Exact Mass307.00
IUPAC Name(5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine
SMILESNC(c1csc(Br)c1)C1CC1c1ccccc1
InChIInChI=1S/C14H14BrNS/c15-13-6-10(8-17-13)14(16)12-7-11(12)9-4-2-1-3-5-9/h1-6,8,11-12,14H,7,16H2
InChIKeyCKRCLYUFLCRUGJ-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105189078
(2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine
CID 138039926
(2,4-dibromophenyl)-(2-phenylcyclopropyl)methanamine
CID 107946944
(3-bromo-2-fluorophenyl)-(2-phenylcyclopropyl)methanamine
CID 106648123
(2-bromo-4-fluorophenyl)-(2-phenylcyclopropyl)methanamine
CID 105052652
(R)-(5-bromothiophen-3-yl)-cyclopropylmethanamine
CID 130714035
(4-bromo-2-chlorophenyl)-(2-phenylcyclopropyl)methanamine
CID 105052562
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
(2-phenylcyclopropyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 105052461
(5-bromothiophen-3-yl)-cyclohexylmethanamine
CID 105079738
(2-chlorophenyl)-(2-phenylcyclopropyl)methanamine;hydrochloride
CID 138040827
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine?
The IUPAC name of (5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine (CID 105189029) is (5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for (5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for (5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine is NC(c1csc(Br)c1)C1CC1c1ccccc1.
What is the InChIKey of (5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine?
The InChIKey is CKRCLYUFLCRUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNS/c15-13-6-10(8-17-13)14(16)12-7-11(12)9-4-2-1-3-5-9/h1-6,8,11-12,14H,7,16H2.
What are the key properties of (5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine?
(5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine has a molecular weight of 308.24 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 105189029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).