4-(2-phenylphenoxy)butan-1-amine;hydrochloride

C16H20ClNO — CID 3046513

IUPAC4-(2-phenylphenoxy)butan-1-amine;hydrochloride
SMILESCl.NCCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C16H19NO.ClH/c17-12-6-7-13-18-16-11-5-4-10-15(16)14-8-2-1-3-9-14;/h1-5,8-11H,6-7,12-13,17H2;1H
InChIKeyPIIXISXFPSIAEO-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.89
Rot. Bonds6

About 4-(2-phenylphenoxy)butan-1-amine;hydrochloride

4-(2-phenylphenoxy)butan-1-amine;hydrochloride (PubChem CID 3046513) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 4-(2-phenylphenoxy)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(2-phenylphenoxy)butan-1-amine;hydrochloride
PubChem CID3046513
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name4-(2-phenylphenoxy)butan-1-amine;hydrochloride
SMILESCl.NCCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C16H19NO.ClH/c17-12-6-7-13-18-16-11-5-4-10-15(16)14-8-2-1-3-9-14;/h1-5,8-11H,6-7,12-13,17H2;1H
InChIKeyPIIXISXFPSIAEO-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.89
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-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine
CID 2299976
4-[2-(4-aminobutoxy)phenyl]benzonitrile
CID 150280795
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
1-octadecoxy-2-phenylbenzene
CID 70983974
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride
CID 164512461
N-methyl-5-(2-phenylphenoxy)pentan-1-amine
CID 3079490
bis[12-(2-phenylphenoxy)dodecyl] (Z)-but-2-enedioate
CID 118941078
4-(2-phenylphenoxy)butanenitrile
CID 14751947

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylphenoxy)butan-1-amine;hydrochloride?
The IUPAC name of 4-(2-phenylphenoxy)butan-1-amine;hydrochloride (CID 3046513) is 4-(2-phenylphenoxy)butan-1-amine;hydrochloride.
What is the SMILES notation for 4-(2-phenylphenoxy)butan-1-amine;hydrochloride?
The canonical SMILES for 4-(2-phenylphenoxy)butan-1-amine;hydrochloride is Cl.NCCCCOc1ccccc1-c1ccccc1.
What is the InChIKey of 4-(2-phenylphenoxy)butan-1-amine;hydrochloride?
The InChIKey is PIIXISXFPSIAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c17-12-6-7-13-18-16-11-5-4-10-15(16)14-8-2-1-3-9-14;/h1-5,8-11H,6-7,12-13,17H2;1H.
What are the key properties of 4-(2-phenylphenoxy)butan-1-amine;hydrochloride?
4-(2-phenylphenoxy)butan-1-amine;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylphenoxy)butan-1-amine;hydrochloride is sourced from PubChem (CID 3046513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).