N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine

C16H27NO — CID 54914008

IUPACN-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine
SMILESCCOc1ccc(C(C)NCCCC(C)C)cc1
InChIInChI=1S/C16H27NO/c1-5-18-16-10-8-15(9-11-16)14(4)17-12-6-7-13(2)3/h8-11,13-14,17H,5-7,12H2,1-4H3
InChIKeyQRVGQODJBRLANN-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.17
Rot. Bonds8

About N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine

N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine (PubChem CID 54914008) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine
PubChem CID54914008
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine
SMILESCCOc1ccc(C(C)NCCCC(C)C)cc1
InChIInChI=1S/C16H27NO/c1-5-18-16-10-8-15(9-11-16)14(4)17-12-6-7-13(2)3/h8-11,13-14,17H,5-7,12H2,1-4H3
InChIKeyQRVGQODJBRLANN-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.17
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-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine
CID 63452559
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206881
1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103710433
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid
CID 43088463
N-[1-(4-ethoxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64548047
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
N-[(4-ethoxyphenyl)methyl]-4-methylpentan-1-amine
CID 60744254
N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 43734730
N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787824

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine (CID 54914008) is N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine is CCOc1ccc(C(C)NCCCC(C)C)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine?
The InChIKey is QRVGQODJBRLANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-18-16-10-8-15(9-11-16)14(4)17-12-6-7-13(2)3/h8-11,13-14,17H,5-7,12H2,1-4H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine?
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine is sourced from PubChem (CID 54914008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).