1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine

C17H20BrNS — CID 63435762

IUPAC1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NC(c1cccs1)C1CC1
InChIInChI=1S/C17H20BrNS/c1-12(11-13-4-8-15(18)9-5-13)19-17(14-6-7-14)16-3-2-10-20-16/h2-5,8-10,12,14,17,19H,6-7,11H2,1H3
InChIKeyVUXCVVIJCIYYST-UHFFFAOYSA-N
MW350.33 g/mol
LogP5.18
Rot. Bonds6

About 1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine

1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine (PubChem CID 63435762) has the molecular formula C17H20BrNS and a molecular weight of 350.33 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
PubChem CID63435762
Molecular FormulaC17H20BrNS
Molecular Weight350.33 g/mol
Exact Mass349.05
IUPAC Name1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NC(c1cccs1)C1CC1
InChIInChI=1S/C17H20BrNS/c1-12(11-13-4-8-15(18)9-5-13)19-17(14-6-7-14)16-3-2-10-20-16/h2-5,8-10,12,14,17,19H,6-7,11H2,1H3
InChIKeyVUXCVVIJCIYYST-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.33
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 62994889
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
1-(4-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 43740581
3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54983076
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030
1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 107354206
3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol
CID 113350086
N-[cyclopentyl(thiophen-2-yl)methyl]hex-5-en-2-amine
CID 113437878
1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 43740628
1-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-2-amine
CID 104979816
4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol
CID 115494135
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine (CID 63435762) is 1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine is CC(Cc1ccc(Br)cc1)NC(c1cccs1)C1CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine?
The InChIKey is VUXCVVIJCIYYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNS/c1-12(11-13-4-8-15(18)9-5-13)19-17(14-6-7-14)16-3-2-10-20-16/h2-5,8-10,12,14,17,19H,6-7,11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine?
1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine has a molecular weight of 350.33 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 63435762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).