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

C17H22ClNO2 — CID 164512461

IUPAC4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride
SMILESCl.NCCCCOc1ccccc1OCc1ccccc1
InChIInChI=1S/C17H21NO2.ClH/c18-12-6-7-13-19-16-10-4-5-11-17(16)20-14-15-8-2-1-3-9-15;/h1-5,8-11H,6-7,12-14,18H2;1H
InChIKeyAIEYSYOWMPZSPJ-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.81
Rot. Bonds8

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

4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride (PubChem CID 164512461) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride
PubChem CID164512461
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride
SMILESCl.NCCCCOc1ccccc1OCc1ccccc1
InChIInChI=1S/C17H21NO2.ClH/c18-12-6-7-13-19-16-10-4-5-11-17(16)20-14-15-8-2-1-3-9-15;/h1-5,8-11H,6-7,12-14,18H2;1H
InChIKeyAIEYSYOWMPZSPJ-UHFFFAOYSA-N
XLogP3.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromopentoxy)-2-phenylmethoxybenzene
CID 70388303
8-(4-phenylmethoxyphenoxy)octan-1-amine
CID 16720538
6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride
CID 164512453
4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513
3-phenylmethoxybenzene-1,2-diamine;hydrochloride
CID 172882825
butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene
CID 123962900
4-(2-propan-2-yloxyphenoxy)butan-1-amine
CID 164512443
4-(2-phenylsulfanylphenoxy)butan-1-amine;hydrochloride
CID 71388517
2-[2-(2-aminoethoxy)phenoxy]ethanamine
CID 2054448
(2-fluoro-6-phenylmethoxyphenyl)methanamine
CID 23071556
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436
1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole
CID 2995500

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride?
The IUPAC name of 4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride (CID 164512461) is 4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride.
What is the SMILES notation for 4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride?
The canonical SMILES for 4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride is Cl.NCCCCOc1ccccc1OCc1ccccc1.
What is the InChIKey of 4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride?
The InChIKey is AIEYSYOWMPZSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2.ClH/c18-12-6-7-13-19-16-10-4-5-11-17(16)20-14-15-8-2-1-3-9-15;/h1-5,8-11H,6-7,12-14,18H2;1H.
What are the key properties of 4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride?
4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride is sourced from PubChem (CID 164512461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).