1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine

C18H22BrNS — CID 43740628

IUPAC1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
SMILESCC(NC(c1cccs1)C1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C18H22BrNS/c1-13(15-8-4-9-16(19)12-15)20-18(14-6-2-3-7-14)17-10-5-11-21-17/h4-5,8-14,18,20H,2-3,6-7H2,1H3
InChIKeyQLQZSYQLPKIOQO-UHFFFAOYSA-N
MW364.35 g/mol
LogP6.09
Rot. Bonds5

About 1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine

1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine (PubChem CID 43740628) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
PubChem CID43740628
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC Name1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
SMILESCC(NC(c1cccs1)C1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C18H22BrNS/c1-13(15-8-4-9-16(19)12-15)20-18(14-6-2-3-7-14)17-10-5-11-21-17/h4-5,8-14,18,20H,2-3,6-7H2,1H3
InChIKeyQLQZSYQLPKIOQO-UHFFFAOYSA-N
XLogP6.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 43740581
1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 107354206
(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81372236
N-[(1S)-1-(3-bromophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 81382664
N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43673198
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
(1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81382422
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 93102752
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
N-[cyclopentyl(thiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612493
1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398672
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine (CID 43740628) is 1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine is CC(NC(c1cccs1)C1CCCC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
The InChIKey is QLQZSYQLPKIOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c1-13(15-8-4-9-16(19)12-15)20-18(14-6-2-3-7-14)17-10-5-11-21-17/h4-5,8-14,18,20H,2-3,6-7H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine?
1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine has a molecular weight of 364.35 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43740628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).