N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine

C14H22BrNOS — CID 114534739

IUPACN-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2sccc2Br)CCOC1C
InChIInChI=1S/C14H22BrNOS/c1-10(2)16-9-14(5-6-17-11(14)3)8-13-12(15)4-7-18-13/h4,7,10-11,16H,5-6,8-9H2,1-3H3
InChIKeyRXPFBBKQZSSYGP-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.85
Rot. Bonds5

About N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine

N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine (PubChem CID 114534739) has the molecular formula C14H22BrNOS and a molecular weight of 332.31 g/mol. Its IUPAC name is N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
PubChem CID114534739
Molecular FormulaC14H22BrNOS
Molecular Weight332.31 g/mol
Exact Mass331.06
IUPAC NameN-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2sccc2Br)CCOC1C
InChIInChI=1S/C14H22BrNOS/c1-10(2)16-9-14(5-6-17-11(14)3)8-13-12(15)4-7-18-13/h4,7,10-11,16H,5-6,8-9H2,1-3H3
InChIKeyRXPFBBKQZSSYGP-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-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

N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535172
N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024242
N-[[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534661
N-[[3-[(2-bromo-5-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534710
N-[[3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534620
3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol
CID 114534749
N-[[3-(1,3-benzothiazol-2-ylmethyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534767
N-[[3-[(2,5-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534688
N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534634
1-[(3-bromothiophen-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086657
N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196718
N-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine
CID 104509867

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine (CID 114534739) is N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(Cc2sccc2Br)CCOC1C.
What is the InChIKey of N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine?
The InChIKey is RXPFBBKQZSSYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNOS/c1-10(2)16-9-14(5-6-17-11(14)3)8-13-12(15)4-7-18-13/h4,7,10-11,16H,5-6,8-9H2,1-3H3.
What are the key properties of N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine?
N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine has a molecular weight of 332.31 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114534739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).