N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine

C14H23NO — CID 62336871

IUPACN-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine
SMILESCCCNCCOCc1ccc(CC)cc1
InChIInChI=1S/C14H23NO/c1-3-9-15-10-11-16-12-14-7-5-13(4-2)6-8-14/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyXPWNBAXEWJTJCO-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.77
Rot. Bonds8

About N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine

N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine (PubChem CID 62336871) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine
PubChem CID62336871
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine
SMILESCCCNCCOCc1ccc(CC)cc1
InChIInChI=1S/C14H23NO/c1-3-9-15-10-11-16-12-14-7-5-13(4-2)6-8-14/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyXPWNBAXEWJTJCO-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.77
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-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]propan-1-amine
CID 105350646
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 62337818
2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine
CID 43590757
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine
CID 106205738
1-ethyl-4-(3-methoxypropoxymethyl)benzene
CID 160710352
N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62337631
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine
CID 65125865
N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82825733
N-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine
CID 65303301

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine (CID 62336871) is N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine is CCCNCCOCc1ccc(CC)cc1.
What is the InChIKey of N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine?
The InChIKey is XPWNBAXEWJTJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-9-15-10-11-16-12-14-7-5-13(4-2)6-8-14/h5-8,15H,3-4,9-12H2,1-2H3.
What are the key properties of N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine?
N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine is sourced from PubChem (CID 62336871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).