N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine

C17H30N2O — CID 63008493

IUPACN-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCOCCCN(C)Cc1ccc(CNCC(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-15(2)12-18-13-16-6-8-17(9-7-16)14-19(3)10-5-11-20-4/h6-9,15,18H,5,10-14H2,1-4H3
InChIKeyFZEBKRJONVAHRT-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.90
Rot. Bonds10

About N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine

N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63008493) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63008493
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCOCCCN(C)Cc1ccc(CNCC(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-15(2)12-18-13-16-6-8-17(9-7-16)14-19(3)10-5-11-20-4/h6-9,15,18H,5,10-14H2,1-4H3
InChIKeyFZEBKRJONVAHRT-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.90
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-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62448969
2-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62418494
N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
CID 63008846
N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 63009567
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62435035
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline
CID 63071872
3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine
CID 105347627
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
N-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine
CID 84746234
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
2-[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 105351790
N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine
CID 62422254

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine (CID 63008493) is N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine is COCCCN(C)Cc1ccc(CNCC(C)C)cc1.
What is the InChIKey of N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is FZEBKRJONVAHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-15(2)12-18-13-16-6-8-17(9-7-16)14-19(3)10-5-11-20-4/h6-9,15,18H,5,10-14H2,1-4H3.
What are the key properties of N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63008493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).