N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine

C16H26N2O — CID 62458464

IUPACN-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine
SMILESCN(C)CCCOCc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H26N2O/c1-18(2)10-3-11-19-13-15-6-4-14(5-7-15)12-17-16-8-9-16/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeyWUHCDYIHJLHYFW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.41
Rot. Bonds9

About N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine

N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine (PubChem CID 62458464) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine
PubChem CID62458464
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine
SMILESCN(C)CCCOCc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H26N2O/c1-18(2)10-3-11-19-13-15-6-4-14(5-7-15)12-17-16-8-9-16/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeyWUHCDYIHJLHYFW-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine
CID 114524710
N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077554
N-[4-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]cyclohexyl]acetamide
CID 119110630
N'-[[4-[(cyclopropylamino)methyl]phenyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997477
N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 55058266
N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine
CID 82005381
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62460736
4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 60821977
N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 63009386
N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62460189
1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 106032448
N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 62459122

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine (CID 62458464) is N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine is CN(C)CCCOCc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine?
The InChIKey is WUHCDYIHJLHYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(2)10-3-11-19-13-15-6-4-14(5-7-15)12-17-16-8-9-16/h4-7,16-17H,3,8-13H2,1-2H3.
What are the key properties of N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine?
N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine has a molecular weight of 262.40 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62458464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).