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

C14H23NO — CID 43276749

IUPACN-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(C)c(OCC)c(C)c1
InChIInChI=1S/C14H23NO/c1-5-7-15-10-13-8-11(3)14(16-6-2)12(4)9-13/h8-9,15H,5-7,10H2,1-4H3
InChIKeyOBMBFXCYSNQOGJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.20
Rot. Bonds6

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

N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine (PubChem CID 43276749) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine
PubChem CID43276749
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(C)c(OCC)c(C)c1
InChIInChI=1S/C14H23NO/c1-5-7-15-10-13-8-11(3)14(16-6-2)12(4)9-13/h8-9,15H,5-7,10H2,1-4H3
InChIKeyOBMBFXCYSNQOGJ-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine
CID 65176339
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 43276745
N-[[3,5-dimethyl-4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 43276751
N-[[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64553318
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
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine
CID 43516566
N-[[3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methyl]propan-1-amine
CID 114471398
1-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-3-methoxypropan-2-ol
CID 63928760
N-[[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449704
N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276756
N-[[4-(cyclopropylmethoxymethoxy)-3,5-dimethylphenyl]methyl]propan-1-amine
CID 106929103

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine (CID 43276749) is N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine is CCCNCc1cc(C)c(OCC)c(C)c1.
What is the InChIKey of N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is OBMBFXCYSNQOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-7-15-10-13-8-11(3)14(16-6-2)12(4)9-13/h8-9,15H,5-7,10H2,1-4H3.
What are the key properties of N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine?
N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43276749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).