N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine

C16H25NO — CID 62105975

IUPACN-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
SMILESCc1ccc(C(CNC2CC2)OCC(C)C)cc1
InChIInChI=1S/C16H25NO/c1-12(2)11-18-16(10-17-15-8-9-15)14-6-4-13(3)5-7-14/h4-7,12,15-17H,8-11H2,1-3H3
InChIKeyYFXVPKDZDPLTLX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.46
Rot. Bonds7

About N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine

N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine (PubChem CID 62105975) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
PubChem CID62105975
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
SMILESCc1ccc(C(CNC2CC2)OCC(C)C)cc1
InChIInChI=1S/C16H25NO/c1-12(2)11-18-16(10-17-15-8-9-15)14-6-4-13(3)5-7-14/h4-7,12,15-17H,8-11H2,1-3H3
InChIKeyYFXVPKDZDPLTLX-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-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 66322051
N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105981
N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 106667054
N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62108652
N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62106890
N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine
CID 79443677
N-[2-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)ethyl]cyclopropanamine
CID 82005990
N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine
CID 103984754
N-[2-(4-methylphenyl)propyl]cyclopentanamine
CID 115641829
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 104819458
N-[2-(2,2-difluoroethoxy)-2-(3-methylphenyl)ethyl]cyclopropanamine
CID 82006736
N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine
CID 62106930

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine (CID 62105975) is N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine is Cc1ccc(C(CNC2CC2)OCC(C)C)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine?
The InChIKey is YFXVPKDZDPLTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)11-18-16(10-17-15-8-9-15)14-6-4-13(3)5-7-14/h4-7,12,15-17H,8-11H2,1-3H3.
What are the key properties of N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine?
N-[2-(4-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-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 62105975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).