N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine

C15H25NO2 — CID 62441668

IUPACN-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
SMILESCOCCCOCc1ccc(CNC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-13(2)16-11-14-5-7-15(8-6-14)12-18-10-4-9-17-3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyZTVSMEFKJKWQGL-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.74
Rot. Bonds9

About N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine

N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine (PubChem CID 62441668) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
PubChem CID62441668
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
SMILESCOCCCOCc1ccc(CNC(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-13(2)16-11-14-5-7-15(8-6-14)12-18-10-4-9-17-3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyZTVSMEFKJKWQGL-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.74
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-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 104566770
N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62442424
N-[[4-[2-(3-methoxypropoxy)ethylsulfanyl]phenyl]methyl]propan-2-amine
CID 103184284
N-[[4-(4,4,4-trifluorobutoxymethyl)phenyl]methyl]propan-2-amine
CID 82792663
N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine
CID 103406401
N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 62459122
1-ethyl-4-(3-methoxypropoxymethyl)benzene
CID 160710352
N-[[6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 103180844
N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935357
N-[[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]propan-2-amine
CID 103409034
N-[[2-(3-methoxypropoxymethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62441095
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine (CID 62441668) is N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine is COCCCOCc1ccc(CNC(C)C)cc1.
What is the InChIKey of N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine?
The InChIKey is ZTVSMEFKJKWQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13(2)16-11-14-5-7-15(8-6-14)12-18-10-4-9-17-3/h5-8,13,16H,4,9-12H2,1-3H3.
What are the key properties of N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine?
N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62441668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).