N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine

C19H26ClN — CID 79562897

IUPACN-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine
SMILESClc1ccccc1C(CNC1CC1)CC1CC2CCC1C2
InChIInChI=1S/C19H26ClN/c20-19-4-2-1-3-18(19)16(12-21-17-7-8-17)11-15-10-13-5-6-14(15)9-13/h1-4,13-17,21H,5-12H2
InChIKeyAZYQONYXENNQHI-UHFFFAOYSA-N
MW303.88 g/mol
LogP5.00
Rot. Bonds6

About N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine

N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine (PubChem CID 79562897) has the molecular formula C19H26ClN and a molecular weight of 303.88 g/mol. Its IUPAC name is N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine
PubChem CID79562897
Molecular FormulaC19H26ClN
Molecular Weight303.88 g/mol
Exact Mass303.18
IUPAC NameN-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine
SMILESClc1ccccc1C(CNC1CC1)CC1CC2CCC1C2
InChIInChI=1S/C19H26ClN/c20-19-4-2-1-3-18(19)16(12-21-17-7-8-17)11-15-10-13-5-6-14(15)9-13/h1-4,13-17,21H,5-12H2
InChIKeyAZYQONYXENNQHI-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.88
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine with MolForge

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Related Compounds

N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromophenyl)propyl]cyclopropanamine
CID 79563384
3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)-N-propan-2-ylpropan-1-amine
CID 79562895
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine
CID 79561966
1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol
CID 79550906
N-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine
CID 79436421
2-[3-chloro-2-(2-fluorophenyl)propyl]bicyclo[2.2.1]heptane
CID 79549846
N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine
CID 79449139
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105012664
N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine
CID 106457197
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 55223377
N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79436727
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-2-methylphenyl)ethyl]propan-1-amine
CID 107102792

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine (CID 79562897) is N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine is Clc1ccccc1C(CNC1CC1)CC1CC2CCC1C2.
What is the InChIKey of N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine?
The InChIKey is AZYQONYXENNQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN/c20-19-4-2-1-3-18(19)16(12-21-17-7-8-17)11-15-10-13-5-6-14(15)9-13/h1-4,13-17,21H,5-12H2.
What are the key properties of N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine?
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine has a molecular weight of 303.88 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine is sourced from PubChem (CID 79562897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).