N-[(3-bromothiophen-2-yl)methyl]-3-fluoropropan-1-amine

C8H11BrFNS — CID 81106349

IUPACN-[(3-bromothiophen-2-yl)methyl]-3-fluoropropan-1-amine
SMILESFCCCNCc1sccc1Br
InChIInChI=1S/C8H11BrFNS/c9-7-2-5-12-8(7)6-11-4-1-3-10/h2,5,11H,1,3-4,6H2
InChIKeySIUWKSPQXWNHIO-UHFFFAOYSA-N
MW252.15 g/mol
LogP2.96
Rot. Bonds5

About N-[(3-bromothiophen-2-yl)methyl]-3-fluoropropan-1-amine

N-[(3-bromothiophen-2-yl)methyl]-3-fluoropropan-1-amine (PubChem CID 81106349) has the molecular formula C8H11BrFNS and a molecular weight of 252.15 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-3-fluoropropan-1-amine
PubChem CID81106349
Molecular FormulaC8H11BrFNS
Molecular Weight252.15 g/mol
Exact Mass250.98
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-3-fluoropropan-1-amine
SMILESFCCCNCc1sccc1Br
InChIInChI=1S/C8H11BrFNS/c9-7-2-5-12-8(7)6-11-4-1-3-10/h2,5,11H,1,3-4,6H2
InChIKeySIUWKSPQXWNHIO-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(5-Bromothiophen-2-yl)methyl]piperazine
CID 2455007
(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
Ethyl[(thiophen-2-yl)methyl]amine
CID 4716479
[(5-Bromothiophen-2-yl)methyl](methyl)amine
CID 2449439
(Propan-2-yl)(thiophen-2-ylmethyl)amine
CID 17052885
Ethyl[(thiophen-2-yl)methyl]amine hydrochloride
CID 17290737
1-(4-Bromothiophen-2-yl)-N-methylmethanamine
CID 42282034
(3-Bromothiophen-2-yl)methanamine
CID 47002497
2-(3-Bromothiophen-2-yl)ethan-1-amine
CID 61727460
N-(3-aminopropyl)-N'-[3-(thiophen-2-ylmethylamino)propyl]butane-1,4-diamine
CID 76324406
N-(thiophen-2-ylmethyl)cyclopentanamine
CID 961396
Cyclopropyl-thiophen-2-ylmethyl-amine
CID 3152562

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-3-fluoropropan-1-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-3-fluoropropan-1-amine (CID 81106349) is N-[(3-bromothiophen-2-yl)methyl]-3-fluoropropan-1-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-3-fluoropropan-1-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-3-fluoropropan-1-amine is FCCCNCc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-3-fluoropropan-1-amine?
The InChIKey is SIUWKSPQXWNHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrFNS/c9-7-2-5-12-8(7)6-11-4-1-3-10/h2,5,11H,1,3-4,6H2.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-3-fluoropropan-1-amine?
N-[(3-bromothiophen-2-yl)methyl]-3-fluoropropan-1-amine has a molecular weight of 252.15 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-3-fluoropropan-1-amine is sourced from PubChem (CID 81106349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).