N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine

C17H19BrClNS — CID 103481065

IUPACN-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(-c2cccc(Cl)c2Br)s1)C1CC1
InChIInChI=1S/C17H19BrClNS/c1-2-10-20-17(11-6-7-11)15-9-8-14(21-15)12-4-3-5-13(19)16(12)18/h3-5,8-9,11,17,20H,2,6-7,10H2,1H3
InChIKeyFFEIDPIZQMIZDH-UHFFFAOYSA-N
MW384.77 g/mol
LogP6.28
Rot. Bonds6

About N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine

N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine (PubChem CID 103481065) has the molecular formula C17H19BrClNS and a molecular weight of 384.77 g/mol. Its IUPAC name is N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
PubChem CID103481065
Molecular FormulaC17H19BrClNS
Molecular Weight384.77 g/mol
Exact Mass383.01
IUPAC NameN-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(-c2cccc(Cl)c2Br)s1)C1CC1
InChIInChI=1S/C17H19BrClNS/c1-2-10-20-17(11-6-7-11)15-9-8-14(21-15)12-4-3-5-13(19)16(12)18/h3-5,8-9,11,17,20H,2,6-7,10H2,1H3
InChIKeyFFEIDPIZQMIZDH-UHFFFAOYSA-N
XLogP6.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.77
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287494
N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43288356
N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
CID 107368903
N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine
CID 107589464
N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine
CID 63400483
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051
N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine
CID 61104757
N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 81287372
N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
CID 61030394
1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287799
N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine
CID 63401070
N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine
CID 63400645

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine?
The IUPAC name of N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine (CID 103481065) is N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine is CCCNC(c1ccc(-c2cccc(Cl)c2Br)s1)C1CC1.
What is the InChIKey of N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine?
The InChIKey is FFEIDPIZQMIZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNS/c1-2-10-20-17(11-6-7-11)15-9-8-14(21-15)12-4-3-5-13(19)16(12)18/h3-5,8-9,11,17,20H,2,6-7,10H2,1H3.
What are the key properties of N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine?
N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine has a molecular weight of 384.77 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine is sourced from PubChem (CID 103481065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).