N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine

C17H24ClNO — CID 79443247

IUPACN-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine
SMILESClc1cccc(C(CCC2CCCO2)CNC2CC2)c1
InChIInChI=1S/C17H24ClNO/c18-15-4-1-3-13(11-15)14(12-19-16-7-8-16)6-9-17-5-2-10-20-17/h1,3-4,11,14,16-17,19H,2,5-10,12H2
InChIKeyPTCZEDPIPGDNJM-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.13
Rot. Bonds7

About N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine

N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine (PubChem CID 79443247) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine
PubChem CID79443247
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine
SMILESClc1cccc(C(CCC2CCCO2)CNC2CC2)c1
InChIInChI=1S/C17H24ClNO/c18-15-4-1-3-13(11-15)14(12-19-16-7-8-16)6-9-17-5-2-10-20-17/h1,3-4,11,14,16-17,19H,2,5-10,12H2
InChIKeyPTCZEDPIPGDNJM-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 79433188
2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79443258
2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 79443477
N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169064
2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine
CID 79443640
N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine
CID 79433698
2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 79429959
N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine
CID 103138876
1-(3-chlorophenyl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115812068
2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol
CID 66060580
2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 65166180
1-(4-chloro-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167483

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine?
The IUPAC name of N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine (CID 79443247) is N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine is Clc1cccc(C(CCC2CCCO2)CNC2CC2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine?
The InChIKey is PTCZEDPIPGDNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c18-15-4-1-3-13(11-15)14(12-19-16-7-8-16)6-9-17-5-2-10-20-17/h1,3-4,11,14,16-17,19H,2,5-10,12H2.
What are the key properties of N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine?
N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine has a molecular weight of 293.84 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine is sourced from PubChem (CID 79443247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).