N-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine

C17H29NO2 — CID 65176339

IUPACN-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)c(OCCCOCC)c(C)c1
InChIInChI=1S/C17H29NO2/c1-5-8-18-13-16-11-14(3)17(15(4)12-16)20-10-7-9-19-6-2/h11-12,18H,5-10,13H2,1-4H3
InChIKeyQJOVSVHTOUXUQO-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.61
Rot. Bonds10

About N-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine

N-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine (PubChem CID 65176339) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine
PubChem CID65176339
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)c(OCCCOCC)c(C)c1
InChIInChI=1S/C17H29NO2/c1-5-8-18-13-16-11-14(3)17(15(4)12-16)20-10-7-9-19-6-2/h11-12,18H,5-10,13H2,1-4H3
InChIKeyQJOVSVHTOUXUQO-UHFFFAOYSA-N
XLogP3.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.61
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-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276749
N-[[3,5-dimethyl-4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 43276751
N-[[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449704
N-[[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64553318
N-[[3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methyl]propan-1-amine
CID 114471398
N-[(3,5-dimethyl-4-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 63062027
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 43276745
N-[[4-(cyclopropylmethoxymethoxy)-3,5-dimethylphenyl]methyl]propan-1-amine
CID 106929103
3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine
CID 62598903
1-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-3-methoxypropan-2-ol
CID 63928760
3-[[2,6-dimethyl-4-(propylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114491559
N-[[4-(2-bromoprop-2-enoxy)-3,5-dimethylphenyl]methyl]propan-1-amine
CID 60879502

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine (CID 65176339) is N-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine is CCCNCc1cc(C)c(OCCCOCC)c(C)c1.
What is the InChIKey of N-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine?
The InChIKey is QJOVSVHTOUXUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-8-18-13-16-11-14(3)17(15(4)12-16)20-10-7-9-19-6-2/h11-12,18H,5-10,13H2,1-4H3.
What are the key properties of N-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine?
N-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine is sourced from PubChem (CID 65176339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).