N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine

C14H19BrN2S — CID 66402996

IUPACN-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccn1Cc1cc(Br)cs1
InChIInChI=1S/C14H19BrN2S/c1-14(2,3)16-8-12-5-4-6-17(12)9-13-7-11(15)10-18-13/h4-7,10,16H,8-9H2,1-3H3
InChIKeyDAIVWCRQOHHGAS-UHFFFAOYSA-N
MW327.29 g/mol
LogP4.25
Rot. Bonds4

About N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66402996) has the molecular formula C14H19BrN2S and a molecular weight of 327.29 g/mol. Its IUPAC name is N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID66402996
Molecular FormulaC14H19BrN2S
Molecular Weight327.29 g/mol
Exact Mass326.05
IUPAC NameN-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccn1Cc1cc(Br)cs1
InChIInChI=1S/C14H19BrN2S/c1-14(2,3)16-8-12-5-4-6-17(12)9-13-7-11(15)10-18-13/h4-7,10,16H,8-9H2,1-3H3
InChIKeyDAIVWCRQOHHGAS-UHFFFAOYSA-N
XLogP4.25
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66150379
N-[[1-[(3,4-dichlorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401437
N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 82919681
2-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66403771
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66402797
2-methyl-N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402608
2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 112651076
N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401842
N-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401248
N-[(4-bromothiophen-2-yl)methyl]-4-[(tert-butylamino)methyl]-N-methylaniline
CID 63550999
2-methyl-N-[(1-pentylpyrrol-2-yl)methyl]propan-2-amine
CID 66401427
2-methyl-N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66401056

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine (CID 66402996) is N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cccn1Cc1cc(Br)cs1.
What is the InChIKey of N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is DAIVWCRQOHHGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2S/c1-14(2,3)16-8-12-5-4-6-17(12)9-13-7-11(15)10-18-13/h4-7,10,16H,8-9H2,1-3H3.
What are the key properties of N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 327.29 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66402996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).