1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine

C15H19BrN2 — CID 66399030

IUPAC1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
SMILESCCCn1ccc(CNCc2ccc(Br)cc2)c1
InChIInChI=1S/C15H19BrN2/c1-2-8-18-9-7-14(12-18)11-17-10-13-3-5-15(16)6-4-13/h3-7,9,12,17H,2,8,10-11H2,1H3
InChIKeyCTXBTVXOMIAXAS-UHFFFAOYSA-N
MW307.24 g/mol
LogP3.95
Rot. Bonds6

About 1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine

1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine (PubChem CID 66399030) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
PubChem CID66399030
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
SMILESCCCn1ccc(CNCc2ccc(Br)cc2)c1
InChIInChI=1S/C15H19BrN2/c1-2-8-18-9-7-14(12-18)11-17-10-13-3-5-15(16)6-4-13/h3-7,9,12,17H,2,8,10-11H2,1H3
InChIKeyCTXBTVXOMIAXAS-UHFFFAOYSA-N
XLogP3.95
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 103527603
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
3-[(1-propylpyrrol-3-yl)methylamino]propanenitrile
CID 66399043
N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66414995
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66399050
1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106833951
1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79236414
4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399039
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66414575
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66415770
1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66397562

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine (CID 66399030) is 1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine is CCCn1ccc(CNCc2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine?
The InChIKey is CTXBTVXOMIAXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-2-8-18-9-7-14(12-18)11-17-10-13-3-5-15(16)6-4-13/h3-7,9,12,17H,2,8,10-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine?
1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine has a molecular weight of 307.24 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine is sourced from PubChem (CID 66399030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).