1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine

C22H26F2N2 — CID 135368122

IUPAC1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
SMILESNC1(CC2CCN(Cc3ccc(F)cc3F)CC2)CC1c1ccccc1
InChIInChI=1S/C22H26F2N2/c23-19-7-6-18(21(24)12-19)15-26-10-8-16(9-11-26)13-22(25)14-20(22)17-4-2-1-3-5-17/h1-7,12,16,20H,8-11,13-15,25H2
InChIKeyVTXPHJVCTXKNLL-UHFFFAOYSA-N
MW356.46 g/mol
LogP4.45
Rot. Bonds5

About 1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine

1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 135368122) has the molecular formula C22H26F2N2 and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID135368122
Molecular FormulaC22H26F2N2
Molecular Weight356.46 g/mol
Exact Mass356.21
IUPAC Name1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
SMILESNC1(CC2CCN(Cc3ccc(F)cc3F)CC2)CC1c1ccccc1
InChIInChI=1S/C22H26F2N2/c23-19-7-6-18(21(24)12-19)15-26-10-8-16(9-11-26)13-22(25)14-20(22)17-4-2-1-3-5-17/h1-7,12,16,20H,8-11,13-15,25H2
InChIKeyVTXPHJVCTXKNLL-UHFFFAOYSA-N
XLogP4.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
CID 24904864
4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
CID 63389167
[1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 111976965
1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine
CID 142138954
1-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512142
N-[[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513970
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine
CID 55218660
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63762828
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
1-[(2,4-difluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 2838695
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine
CID 43438739
1-[(2-bromo-4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 63458175

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of 1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine (CID 135368122) is 1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for 1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for 1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine is NC1(CC2CCN(Cc3ccc(F)cc3F)CC2)CC1c1ccccc1.
What is the InChIKey of 1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is VTXPHJVCTXKNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2/c23-19-7-6-18(21(24)12-19)15-26-10-8-16(9-11-26)13-22(25)14-20(22)17-4-2-1-3-5-17/h1-7,12,16,20H,8-11,13-15,25H2.
What are the key properties of 1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 356.46 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 135368122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).