N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine

C16H25NO — CID 62105981

IUPACN-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
SMILESCc1ccccc1C(CNC1CC1)OCC(C)C
InChIInChI=1S/C16H25NO/c1-12(2)11-18-16(10-17-14-8-9-14)15-7-5-4-6-13(15)3/h4-7,12,14,16-17H,8-11H2,1-3H3
InChIKeyGNVFKGXMLWKNAQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.46
Rot. Bonds7

About N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine

N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine (PubChem CID 62105981) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
PubChem CID62105981
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
SMILESCc1ccccc1C(CNC1CC1)OCC(C)C
InChIInChI=1S/C16H25NO/c1-12(2)11-18-16(10-17-14-8-9-14)15-7-5-4-6-13(15)3/h4-7,12,14,16-17H,8-11H2,1-3H3
InChIKeyGNVFKGXMLWKNAQ-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62108652
N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine
CID 82957812
N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105975
N-[2-(2-methylphenyl)-2-(4,4,4-trifluorobutoxy)ethyl]cyclopropanamine
CID 82783287
N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine
CID 81015304
N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine
CID 79424178
N-[2-(2-methylphenyl)butyl]cyclopropanamine
CID 79421511
1-[bis(2-methylpropoxy)methyl]-2-methylbenzene
CID 22034846
N-[2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine
CID 106449233
N,N-dimethyl-1-(2-methylphenyl)-N'-(thian-4-yl)ethane-1,2-diamine
CID 50981193
N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 106204944
1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine
CID 62461524

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine (CID 62105981) is N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine is Cc1ccccc1C(CNC1CC1)OCC(C)C.
What is the InChIKey of N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine?
The InChIKey is GNVFKGXMLWKNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)11-18-16(10-17-14-8-9-14)15-7-5-4-6-13(15)3/h4-7,12,14,16-17H,8-11H2,1-3H3.
What are the key properties of N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine?
N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine has a molecular weight of 247.38 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 62105981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).