5-(3-phenoxyphenyl)pentan-1-amine

C17H21NO — CID 175525700

IUPAC5-(3-phenoxyphenyl)pentan-1-amine
SMILESNCCCCCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H21NO/c18-13-6-2-3-8-15-9-7-12-17(14-15)19-16-10-4-1-5-11-16/h1,4-5,7,9-12,14H,2-3,6,8,13,18H2
InChIKeyBPZTXKRUFFSURH-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.15
Rot. Bonds7

About 5-(3-phenoxyphenyl)pentan-1-amine

5-(3-phenoxyphenyl)pentan-1-amine (PubChem CID 175525700) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-(3-phenoxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name5-(3-phenoxyphenyl)pentan-1-amine
PubChem CID175525700
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name5-(3-phenoxyphenyl)pentan-1-amine
SMILESNCCCCCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H21NO/c18-13-6-2-3-8-15-9-7-12-17(14-15)19-16-10-4-1-5-11-16/h1,4-5,7,9-12,14H,2-3,6,8,13,18H2
InChIKeyBPZTXKRUFFSURH-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.15
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

1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
6-(3-phenoxyphenyl)hexan-1-ol
CID 70473652
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene
CID 58531395
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
1-(3-iodopropyl)-3-(4-phenoxyphenoxy)benzene
CID 25223171
13-phenyltridecan-1-amine
CID 19801439
1-(4-cyclopropylbutyl)-3-phenoxybenzene
CID 150391471
4-(3-phenylphenyl)butan-1-amine
CID 117324209
[3-(4-aminobutyl)phenyl] trifluoromethanesulfonate
CID 89209477
4-phenylbutan-1-amine;hydrochloride
CID 44630065
O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine
CID 70328093

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenoxyphenyl)pentan-1-amine?
The IUPAC name of 5-(3-phenoxyphenyl)pentan-1-amine (CID 175525700) is 5-(3-phenoxyphenyl)pentan-1-amine.
What is the SMILES notation for 5-(3-phenoxyphenyl)pentan-1-amine?
The canonical SMILES for 5-(3-phenoxyphenyl)pentan-1-amine is NCCCCCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 5-(3-phenoxyphenyl)pentan-1-amine?
The InChIKey is BPZTXKRUFFSURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c18-13-6-2-3-8-15-9-7-12-17(14-15)19-16-10-4-1-5-11-16/h1,4-5,7,9-12,14H,2-3,6,8,13,18H2.
What are the key properties of 5-(3-phenoxyphenyl)pentan-1-amine?
5-(3-phenoxyphenyl)pentan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenoxyphenyl)pentan-1-amine is sourced from PubChem (CID 175525700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).