N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine

C17H27NO — CID 62595732

IUPACN-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine
SMILESCC(C)COc1ccc(C(C)(C)CNC2CC2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)11-19-16-9-5-14(6-10-16)17(3,4)12-18-15-7-8-15/h5-6,9-10,13,15,18H,7-8,11-12H2,1-4H3
InChIKeyOAOLEGOKEJAAJF-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.75
Rot. Bonds7

About N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine

N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine (PubChem CID 62595732) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine
PubChem CID62595732
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine
SMILESCC(C)COc1ccc(C(C)(C)CNC2CC2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)11-19-16-9-5-14(6-10-16)17(3,4)12-18-15-7-8-15/h5-6,9-10,13,15,18H,7-8,11-12H2,1-4H3
InChIKeyOAOLEGOKEJAAJF-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]amino]cyclohexane-1-carboxylic acid
CID 122031136
N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 62595361
2-(cyclopropylmethylamino)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]acetamide
CID 119778674
2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 95445371
2-methyl-1-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide
CID 111107736
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride
CID 119320715
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 126770196
3-(hydroxymethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]pyrrolidine-1-carboxamide
CID 111444071
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-2-pyrrolidin-2-ylacetamide
CID 119778688
2-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 50988085
(2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide
CID 86813594
3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride
CID 120500609

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine (CID 62595732) is N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine is CC(C)COc1ccc(C(C)(C)CNC2CC2)cc1.
What is the InChIKey of N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine?
The InChIKey is OAOLEGOKEJAAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)11-19-16-9-5-14(6-10-16)17(3,4)12-18-15-7-8-15/h5-6,9-10,13,15,18H,7-8,11-12H2,1-4H3.
What are the key properties of N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine?
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine has a molecular weight of 261.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine is sourced from PubChem (CID 62595732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).