(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine

C18H19F2N — CID 63988826

IUPAC(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine
SMILESNC(c1cccc(F)c1F)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H19F2N/c19-15-10-6-9-14(16(15)20)17(21)18(11-4-5-12-18)13-7-2-1-3-8-13/h1-3,6-10,17H,4-5,11-12,21H2
InChIKeyPGFYFZCLCBXGJI-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.48
Rot. Bonds3

About (2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine

(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine (PubChem CID 63988826) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine
PubChem CID63988826
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine
SMILESNC(c1cccc(F)c1F)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H19F2N/c19-15-10-6-9-14(16(15)20)17(21)18(11-4-5-12-18)13-7-2-1-3-8-13/h1-3,6-10,17H,4-5,11-12,21H2
InChIKeyPGFYFZCLCBXGJI-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine
CID 63080571
(5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine
CID 79721756
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanamine
CID 63080445
(4-fluorophenyl)-(1-phenylcyclohexyl)methanamine
CID 63417721
1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448384
(2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine
CID 63418067
1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine
CID 81128732
(4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine
CID 63078447
(2-ethoxyphenyl)-(1-phenylcyclobutyl)methanamine
CID 63079875
(4-methyl-3-pyridinyl)-(1-phenylcyclohexyl)methanamine
CID 66272498
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine
CID 107128712
1-benzothiophen-7-yl-(1-phenylcyclopropyl)methanamine
CID 81128591

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine?
The IUPAC name of (2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine (CID 63988826) is (2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine.
What is the SMILES notation for (2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine?
The canonical SMILES for (2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine is NC(c1cccc(F)c1F)C1(c2ccccc2)CCCC1.
What is the InChIKey of (2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine?
The InChIKey is PGFYFZCLCBXGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c19-15-10-6-9-14(16(15)20)17(21)18(11-4-5-12-18)13-7-2-1-3-8-13/h1-3,6-10,17H,4-5,11-12,21H2.
What are the key properties of (2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine?
(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine has a molecular weight of 287.35 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine is sourced from PubChem (CID 63988826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).