2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine

C10H16F2N2 — CID 115405916

IUPAC2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
SMILESCCCn1cccc1CNCC(F)F
InChIInChI=1S/C10H16F2N2/c1-2-5-14-6-3-4-9(14)7-13-8-10(11)12/h3-4,6,10,13H,2,5,7-8H2,1H3
InChIKeyQAOCSLOCJDGFEI-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.25
Rot. Bonds6

About 2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine

2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine (PubChem CID 115405916) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
PubChem CID115405916
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
SMILESCCCn1cccc1CNCC(F)F
InChIInChI=1S/C10H16F2N2/c1-2-5-14-6-3-4-9(14)7-13-8-10(11)12/h3-4,6,10,13H,2,5,7-8H2,1H3
InChIKeyQAOCSLOCJDGFEI-UHFFFAOYSA-N
XLogP2.25
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol
CID 66443446
2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine
CID 66412673
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66413651
4-(difluoromethylsulfanyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66412293
N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66443439
3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine
CID 66411114
3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol
CID 66443840
2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66412851
N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine
CID 114139714
3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66411689
2-ethyl-1-propylpyrrole;hydrofluoride
CID 175874487

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine (CID 115405916) is 2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine is CCCn1cccc1CNCC(F)F.
What is the InChIKey of 2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is QAOCSLOCJDGFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-2-5-14-6-3-4-9(14)7-13-8-10(11)12/h3-4,6,10,13H,2,5,7-8H2,1H3.
What are the key properties of 2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine?
2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 202.25 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 115405916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).