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

C16H26N2O — CID 62417571

IUPACN-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
SMILESCCCN(C)CCOc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H26N2O/c1-3-10-18(2)11-12-19-16-8-4-14(5-9-16)13-17-15-6-7-15/h4-5,8-9,15,17H,3,6-7,10-13H2,1-2H3
InChIKeyOGFPRNYIPOMQJB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds9

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

N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 62417571) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID62417571
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
SMILESCCCN(C)CCOc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H26N2O/c1-3-10-18(2)11-12-19-16-8-4-14(5-9-16)13-17-15-6-7-15/h4-5,8-9,15,17H,3,6-7,10-13H2,1-2H3
InChIKeyOGFPRNYIPOMQJB-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 63009386
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409199
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62439588
N-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide
CID 119110630
N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366707
4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784
N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62441857
3-methylsulfanyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 103701377
N-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62856752

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine (CID 62417571) is N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine is CCCN(C)CCOc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is OGFPRNYIPOMQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-10-18(2)11-12-19-16-8-4-14(5-9-16)13-17-15-6-7-15/h4-5,8-9,15,17H,3,6-7,10-13H2,1-2H3.
What are the key properties of N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine?
N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 262.40 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62417571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).