N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine

C17H24ClNO — CID 103138876

IUPACN-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine
SMILESCC1CCC(CC(CNC2CC2)c2cccc(Cl)c2)O1
InChIInChI=1S/C17H24ClNO/c1-12-5-8-17(20-12)10-14(11-19-16-6-7-16)13-3-2-4-15(18)9-13/h2-4,9,12,14,16-17,19H,5-8,10-11H2,1H3
InChIKeyBRKLWAYIVISYFI-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.13
Rot. Bonds6

About N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine

N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine (PubChem CID 103138876) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine
PubChem CID103138876
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine
SMILESCC1CCC(CC(CNC2CC2)c2cccc(Cl)c2)O1
InChIInChI=1S/C17H24ClNO/c1-12-5-8-17(20-12)10-14(11-19-16-6-7-16)13-3-2-4-15(18)9-13/h2-4,9,12,14,16-17,19H,5-8,10-11H2,1H3
InChIKeyBRKLWAYIVISYFI-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 103138764
N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine
CID 79433698
N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169064
2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138887
N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine
CID 79443247
N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine
CID 103138828
2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 79443477
2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol
CID 103142480
N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine
CID 79442652
(3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 115811426
N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053433
N-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine
CID 79433687

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine (CID 103138876) is N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine is CC1CCC(CC(CNC2CC2)c2cccc(Cl)c2)O1.
What is the InChIKey of N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine?
The InChIKey is BRKLWAYIVISYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-12-5-8-17(20-12)10-14(11-19-16-6-7-16)13-3-2-4-15(18)9-13/h2-4,9,12,14,16-17,19H,5-8,10-11H2,1H3.
What are the key properties of N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine?
N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine has a molecular weight of 293.84 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine is sourced from PubChem (CID 103138876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).