2-[4-(5-phenylpentoxy)phenyl]ethanamine

C19H25NO — CID 22929603

IUPAC2-[4-(5-phenylpentoxy)phenyl]ethanamine
SMILESNCCc1ccc(OCCCCCc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c20-15-14-18-10-12-19(13-11-18)21-16-6-2-5-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-13H,2,5-6,9,14-16,20H2
InChIKeyBLTOKPJMRWBXPF-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.98
Rot. Bonds9

About 2-[4-(5-phenylpentoxy)phenyl]ethanamine

2-[4-(5-phenylpentoxy)phenyl]ethanamine (PubChem CID 22929603) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[4-(5-phenylpentoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-phenylpentoxy)phenyl]ethanamine
PubChem CID22929603
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[4-(5-phenylpentoxy)phenyl]ethanamine
SMILESNCCc1ccc(OCCCCCc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c20-15-14-18-10-12-19(13-11-18)21-16-6-2-5-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-13H,2,5-6,9,14-16,20H2
InChIKeyBLTOKPJMRWBXPF-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.98
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

2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine
CID 43254415
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
4-(4-heptylphenoxy)butan-1-amine
CID 164576429
N-chloro-2-[4-(4-phenylbutoxy)phenyl]ethanamine
CID 89281693
4-(5-phenylpentoxy)benzamide
CID 142267536
1-methyl-4-(5-phenoxypentyl)benzene
CID 19755668
1-(bromomethyl)-4-(5-phenoxypentyl)benzene
CID 14576783

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-phenylpentoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(5-phenylpentoxy)phenyl]ethanamine (CID 22929603) is 2-[4-(5-phenylpentoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(5-phenylpentoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(5-phenylpentoxy)phenyl]ethanamine is NCCc1ccc(OCCCCCc2ccccc2)cc1.
What is the InChIKey of 2-[4-(5-phenylpentoxy)phenyl]ethanamine?
The InChIKey is BLTOKPJMRWBXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c20-15-14-18-10-12-19(13-11-18)21-16-6-2-5-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-13H,2,5-6,9,14-16,20H2.
What are the key properties of 2-[4-(5-phenylpentoxy)phenyl]ethanamine?
2-[4-(5-phenylpentoxy)phenyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-phenylpentoxy)phenyl]ethanamine is sourced from PubChem (CID 22929603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).