N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine

C18H23ClFN — CID 115984206

IUPACN-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESFc1cccc(CC2(CNC3CC3)CC3CCC2C3)c1Cl
InChIInChI=1S/C18H23ClFN/c19-17-13(2-1-3-16(17)20)10-18(11-21-15-6-7-15)9-12-4-5-14(18)8-12/h1-3,12,14-15,21H,4-11H2
InChIKeyZELJEFXVNKFNFN-UHFFFAOYSA-N
MW307.84 g/mol
LogP4.58
Rot. Bonds5

About N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine

N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (PubChem CID 115984206) has the molecular formula C18H23ClFN and a molecular weight of 307.84 g/mol. Its IUPAC name is N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
PubChem CID115984206
Molecular FormulaC18H23ClFN
Molecular Weight307.84 g/mol
Exact Mass307.15
IUPAC NameN-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESFc1cccc(CC2(CNC3CC3)CC3CCC2C3)c1Cl
InChIInChI=1S/C18H23ClFN/c19-17-13(2-1-3-16(17)20)10-18(11-21-15-6-7-15)9-12-4-5-14(18)8-12/h1-3,12,14-15,21H,4-11H2
InChIKeyZELJEFXVNKFNFN-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.84
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63522182
N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63522529
N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63521474
[2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 62740993
N-[[2-[(2,6-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 114933522
N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 79697122
N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 102940477
N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 63520754
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63775029
1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 55197369
N-[[2-[(2-chloro-4-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63522524

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (CID 115984206) is N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is Fc1cccc(CC2(CNC3CC3)CC3CCC2C3)c1Cl.
What is the InChIKey of N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The InChIKey is ZELJEFXVNKFNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFN/c19-17-13(2-1-3-16(17)20)10-18(11-21-15-6-7-15)9-12-4-5-14(18)8-12/h1-3,12,14-15,21H,4-11H2.
What are the key properties of N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine has a molecular weight of 307.84 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is sourced from PubChem (CID 115984206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).