(R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethanamine

C24H26F2N2 — CID 121428658

IUPAC(R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethanamine
SMILESN[C@@H](c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C24H26F2N2/c25-20-11-12-22(26)21(14-20)19-13-23(24(27)18-9-5-2-6-10-18)28(16-19)15-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,16,18,24H,2,5-6,9-10,15,27H2/t24-/m1/s1
InChIKeyKUAIEZXVSDSBIW-XMMPIXPASA-N
MW380.48 g/mol
LogP6.06
Rot. Bonds5

About (R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethanamine

(R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethanamine (PubChem CID 121428658) has the molecular formula C24H26F2N2 and a molecular weight of 380.48 g/mol. Its IUPAC name is (R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethanamine.

Molecular Properties

Compound Name(R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethanamine
PubChem CID121428658
Molecular FormulaC24H26F2N2
Molecular Weight380.48 g/mol
Exact Mass380.21
IUPAC Name(R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethanamine
SMILESN[C@@H](c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C24H26F2N2/c25-20-11-12-22(26)21(14-20)19-13-23(24(27)18-9-5-2-6-10-18)28(16-19)15-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,16,18,24H,2,5-6,9-10,15,27H2/t24-/m1/s1
InChIKeyKUAIEZXVSDSBIW-XMMPIXPASA-N
XLogP6.06
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.48
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azane;1-benzyl-2-(cyclohexylmethyl)-4-(2,5-difluorophenyl)pyrrole
CID 175164377
2-(trimethyl-λ4-sulfanyl)ethyl N-[3-[[(R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethyl]amino]propyl]carbamate
CID 134174619
1-benzyl-4-(2,5-difluorophenyl)pyrrole-2-carboxylic acid
CID 130469351
1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-N-ethyl-2,2-dimethyl-N-propylpropan-1-amine
CID 171621450
(NE)-N-[[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]methylidene]thiohydroxylamine
CID 145101170
N-[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2-methylpropyl]-N-ethyl-2-hydroxyacetamide
CID 145216336
(3R)-3-[[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 139432835
[3-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]amino]-4-(9H-fluoren-9-yl)butyl] carbamate
CID 146216533
N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;2,2,2-trifluoroacetic acid
CID 177311111
3-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]amino]propyl carbamate
CID 137440135
(2S)-2-amino-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(1,2-dihydroxyethyl)amino]butanoic acid
CID 135183326
9H-fluoren-9-ylmethyl 5-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]amino]pentanoate
CID 149220078

Frequently Asked Questions

What is the IUPAC name of (R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethanamine?
The IUPAC name of (R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethanamine (CID 121428658) is (R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethanamine.
What is the SMILES notation for (R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethanamine?
The canonical SMILES for (R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethanamine is N[C@@H](c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C1CCCCC1.
What is the InChIKey of (R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethanamine?
The InChIKey is KUAIEZXVSDSBIW-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26F2N2/c25-20-11-12-22(26)21(14-20)19-13-23(24(27)18-9-5-2-6-10-18)28(16-19)15-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,16,18,24H,2,5-6,9-10,15,27H2/t24-/m1/s1.
What are the key properties of (R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethanamine?
(R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethanamine has a molecular weight of 380.48 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethanamine is sourced from PubChem (CID 121428658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).