(1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine

C14H16BrNOS — CID 78937230

IUPAC(1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCc2cc(Br)cs2)cc1
InChIInChI=1S/C14H16BrNOS/c1-2-14(16)10-3-5-12(6-4-10)17-8-13-7-11(15)9-18-13/h3-7,9,14H,2,8,16H2,1H3/t14-/m1/s1
InChIKeyNDLPKVQMTNBJJD-CQSZACIVSA-N
MW326.26 g/mol
LogP4.50
Rot. Bonds5

About (1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine

(1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine (PubChem CID 78937230) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is (1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
PubChem CID78937230
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name(1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCc2cc(Br)cs2)cc1
InChIInChI=1S/C14H16BrNOS/c1-2-14(16)10-3-5-12(6-4-10)17-8-13-7-11(15)9-18-13/h3-7,9,14H,2,8,16H2,1H3/t14-/m1/s1
InChIKeyNDLPKVQMTNBJJD-CQSZACIVSA-N
XLogP4.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 78937135
1-[4-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 60880329
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661
1-[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]propan-1-amine
CID 104796044
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
(1S)-1-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 106262986
1-[4-[(4-bromothiophen-2-yl)methoxy]-3-chlorophenyl]ethanamine
CID 113389706
1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61487377
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene
CID 107723788
1-[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63422163
(1R)-1-[4-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
CID 78937022

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine (CID 78937230) is (1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine is CC[C@@H](N)c1ccc(OCc2cc(Br)cs2)cc1.
What is the InChIKey of (1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is NDLPKVQMTNBJJD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-2-14(16)10-3-5-12(6-4-10)17-8-13-7-11(15)9-18-13/h3-7,9,14H,2,8,16H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine?
(1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine has a molecular weight of 326.26 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 78937230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).