2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride

C17H30ClNO2 — CID 22618781

IUPAC2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride
SMILESCCCCCCOc1ccc(CCCC(N)CO)cc1.Cl
InChIInChI=1S/C17H29NO2.ClH/c1-2-3-4-5-13-20-17-11-9-15(10-12-17)7-6-8-16(18)14-19;/h9-12,16,19H,2-8,13-14,18H2,1H3;1H
InChIKeySHJJKSUIWGVNCH-UHFFFAOYSA-N
MW315.88 g/mol
LogP3.71
Rot. Bonds11

About 2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride

2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride (PubChem CID 22618781) has the molecular formula C17H30ClNO2 and a molecular weight of 315.88 g/mol. Its IUPAC name is 2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride
PubChem CID22618781
Molecular FormulaC17H30ClNO2
Molecular Weight315.88 g/mol
Exact Mass315.20
IUPAC Name2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride
SMILESCCCCCCOc1ccc(CCCC(N)CO)cc1.Cl
InChIInChI=1S/C17H29NO2.ClH/c1-2-3-4-5-13-20-17-11-9-15(10-12-17)7-6-8-16(18)14-19;/h9-12,16,19H,2-8,13-14,18H2,1H3;1H
InChIKeySHJJKSUIWGVNCH-UHFFFAOYSA-N
XLogP3.71
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.88
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride
CID 170892011
2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride
CID 10064205
1-hexoxy-4-pentylbenzene
CID 54277450
(2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride
CID 66563411
5-(4-butylphenoxy)pentan-1-ol
CID 113322723
3-(4-hexadecoxyphenyl)propan-1-amine
CID 170867453
4-amino-1-(4-hexoxyphenyl)heptan-3-ol
CID 83932758
1-nonoxy-4-propylbenzene
CID 118632119
2-(4-heptylphenoxy)ethanamine;hydrochloride
CID 164576424
4-(4-heptylphenoxy)butan-1-amine
CID 164576429
(2S)-2-amino-3-(4-hexylphenyl)propan-1-ol
CID 66563404
2-[2-(4-pentoxyphenyl)ethyl]guanidine
CID 161155288

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride?
The IUPAC name of 2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride (CID 22618781) is 2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride is CCCCCCOc1ccc(CCCC(N)CO)cc1.Cl.
What is the InChIKey of 2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride?
The InChIKey is SHJJKSUIWGVNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2.ClH/c1-2-3-4-5-13-20-17-11-9-15(10-12-17)7-6-8-16(18)14-19;/h9-12,16,19H,2-8,13-14,18H2,1H3;1H.
What are the key properties of 2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride?
2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride has a molecular weight of 315.88 g/mol, XLogP of 3.71, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride is sourced from PubChem (CID 22618781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).