2-(4-heptylphenoxy)ethanamine;hydrochloride

C15H26ClNO — CID 164576424

IUPAC2-(4-heptylphenoxy)ethanamine;hydrochloride
SMILESCCCCCCCc1ccc(OCCN)cc1.Cl
InChIInChI=1S/C15H25NO.ClH/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)17-13-12-16;/h8-11H,2-7,12-13,16H2,1H3;1H
InChIKeyGENKESHPGJDGBI-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.96
Rot. Bonds9

About 2-(4-heptylphenoxy)ethanamine;hydrochloride

2-(4-heptylphenoxy)ethanamine;hydrochloride (PubChem CID 164576424) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is 2-(4-heptylphenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-heptylphenoxy)ethanamine;hydrochloride
PubChem CID164576424
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name2-(4-heptylphenoxy)ethanamine;hydrochloride
SMILESCCCCCCCc1ccc(OCCN)cc1.Cl
InChIInChI=1S/C15H25NO.ClH/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)17-13-12-16;/h8-11H,2-7,12-13,16H2,1H3;1H
InChIKeyGENKESHPGJDGBI-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.96
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

4-(4-heptylphenoxy)butan-1-amine
CID 164576429
3-(4-hexadecoxyphenyl)propan-1-amine
CID 170867453
1-hexoxy-4-pentylbenzene
CID 54277450
6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine
CID 158087179
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
1-nonoxy-4-propylbenzene
CID 118632119
1-hexyl-4-(2-propoxyethoxy)benzene
CID 91210467
1-(8-bromooctoxy)-4-octylbenzene
CID 71362088
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
(4-decoxyphenyl)methanamine
CID 55187501
(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948

Frequently Asked Questions

What is the IUPAC name of 2-(4-heptylphenoxy)ethanamine;hydrochloride?
The IUPAC name of 2-(4-heptylphenoxy)ethanamine;hydrochloride (CID 164576424) is 2-(4-heptylphenoxy)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-heptylphenoxy)ethanamine;hydrochloride?
The canonical SMILES for 2-(4-heptylphenoxy)ethanamine;hydrochloride is CCCCCCCc1ccc(OCCN)cc1.Cl.
What is the InChIKey of 2-(4-heptylphenoxy)ethanamine;hydrochloride?
The InChIKey is GENKESHPGJDGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO.ClH/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)17-13-12-16;/h8-11H,2-7,12-13,16H2,1H3;1H.
What are the key properties of 2-(4-heptylphenoxy)ethanamine;hydrochloride?
2-(4-heptylphenoxy)ethanamine;hydrochloride has a molecular weight of 271.83 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-heptylphenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 164576424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).