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

C18H27NO — CID 103138764

IUPACN-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine
SMILESCc1cccc(C(CNC2CC2)CC2CCC(C)O2)c1
InChIInChI=1S/C18H27NO/c1-13-4-3-5-15(10-13)16(12-19-17-7-8-17)11-18-9-6-14(2)20-18/h3-5,10,14,16-19H,6-9,11-12H2,1-2H3
InChIKeyRBGNSGURGZNWSP-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.79
Rot. Bonds6

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

N-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine (PubChem CID 103138764) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine
PubChem CID103138764
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine
SMILESCc1cccc(C(CNC2CC2)CC2CCC(C)O2)c1
InChIInChI=1S/C18H27NO/c1-13-4-3-5-15(10-13)16(12-19-17-7-8-17)11-18-9-6-14(2)20-18/h3-5,10,14,16-19H,6-9,11-12H2,1-2H3
InChIKeyRBGNSGURGZNWSP-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine
CID 103138876
N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 106930859
2-(3-bromophenyl)-N-ethyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138887
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
N-[3-(2-fluorophenyl)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 79422729
N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine
CID 79417115
N-[2-(3-methylphenyl)-4-propylsulfonylbutyl]cyclopropanamine
CID 106730114
N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine
CID 79422736
N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine
CID 82006736
2-[3-chloro-2-(4-methylphenyl)propyl]-5-methyloxolane
CID 103142699
2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138809
1-(5-methyloxolan-2-yl)-N-[(3-methylphenyl)methyl]methanamine
CID 82834330

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine (CID 103138764) is N-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine is Cc1cccc(C(CNC2CC2)CC2CCC(C)O2)c1.
What is the InChIKey of N-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine?
The InChIKey is RBGNSGURGZNWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-4-3-5-15(10-13)16(12-19-17-7-8-17)11-18-9-6-14(2)20-18/h3-5,10,14,16-19H,6-9,11-12H2,1-2H3.
What are the key properties of N-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine?
N-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyloxolan-2-yl)-2-(3-methylphenyl)propyl]cyclopropanamine is sourced from PubChem (CID 103138764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).