N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine

C17H29NO3 — CID 62446407

IUPACN-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCCOCCOCCOc1ccc(CNCC(C)C)cc1
InChIInChI=1S/C17H29NO3/c1-4-19-9-10-20-11-12-21-17-7-5-16(6-8-17)14-18-13-15(2)3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyPTGWXSJQWFGVDP-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.86
Rot. Bonds12

About N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine

N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 62446407) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID62446407
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCCOCCOCCOc1ccc(CNCC(C)C)cc1
InChIInChI=1S/C17H29NO3/c1-4-19-9-10-20-11-12-21-17-7-5-16(6-8-17)14-18-13-15(2)3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyPTGWXSJQWFGVDP-UHFFFAOYSA-N
XLogP2.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 106205797
N-[[4-(2-ethylsulfanylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113473373
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
N-[[4-(2-ethoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107688883
2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64552907
2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
CID 79360041
2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine
CID 102608164
N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63063229
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine (CID 62446407) is N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine is CCOCCOCCOc1ccc(CNCC(C)C)cc1.
What is the InChIKey of N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is PTGWXSJQWFGVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-19-9-10-20-11-12-21-17-7-5-16(6-8-17)14-18-13-15(2)3/h5-8,15,18H,4,9-14H2,1-3H3.
What are the key properties of N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 2.86, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62446407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).