N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine

C16H25BrClNS — CID 114457743

IUPACN-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine
SMILESCCCNC(CC1CCCCCC1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C16H25BrClNS/c1-2-9-19-14(15-11-13(18)16(17)20-15)10-12-7-5-3-4-6-8-12/h11-12,14,19H,2-10H2,1H3
InChIKeyVOTNAHZTTBFWQD-UHFFFAOYSA-N
MW378.81 g/mol
LogP6.57
Rot. Bonds6

About N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine

N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine (PubChem CID 114457743) has the molecular formula C16H25BrClNS and a molecular weight of 378.81 g/mol. Its IUPAC name is N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine
PubChem CID114457743
Molecular FormulaC16H25BrClNS
Molecular Weight378.81 g/mol
Exact Mass377.06
IUPAC NameN-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine
SMILESCCCNC(CC1CCCCCC1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C16H25BrClNS/c1-2-9-19-14(15-11-13(18)16(17)20-15)10-12-7-5-3-4-6-8-12/h11-12,14,19H,2-10H2,1H3
InChIKeyVOTNAHZTTBFWQD-UHFFFAOYSA-N
XLogP6.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.81
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine with MolForge

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-propylpropan-1-amine
CID 80532261
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine
CID 80531325
N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine
CID 80532063
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethyl]propan-1-amine
CID 103163421
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155187
1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine
CID 80530913
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine
CID 80530689
N-[(5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 80531999
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 80532042
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 80532155
1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine
CID 102827632
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165500

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine (CID 114457743) is N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine is CCCNC(CC1CCCCCC1)c1cc(Cl)c(Br)s1.
What is the InChIKey of N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine?
The InChIKey is VOTNAHZTTBFWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrClNS/c1-2-9-19-14(15-11-13(18)16(17)20-15)10-12-7-5-3-4-6-8-12/h11-12,14,19H,2-10H2,1H3.
What are the key properties of N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine?
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine has a molecular weight of 378.81 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine is sourced from PubChem (CID 114457743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).