6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine

C21H37NO2 — CID 158087179

IUPAC6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine
SMILESCCCCCCOc1ccc(CCCOCCCCCCN)cc1
InChIInChI=1S/C21H37NO2/c1-2-3-4-9-19-24-21-14-12-20(13-15-21)11-10-18-23-17-8-6-5-7-16-22/h12-15H,2-11,16-19,22H2,1H3
InChIKeyFNQPFCVYXQRMSW-UHFFFAOYSA-N
MW335.53 g/mol
LogP5.11
Rot. Bonds16

About 6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine

6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine (PubChem CID 158087179) has the molecular formula C21H37NO2 and a molecular weight of 335.53 g/mol. Its IUPAC name is 6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine.

Molecular Properties

Compound Name6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine
PubChem CID158087179
Molecular FormulaC21H37NO2
Molecular Weight335.53 g/mol
Exact Mass335.28
IUPAC Name6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine
SMILESCCCCCCOc1ccc(CCCOCCCCCCN)cc1
InChIInChI=1S/C21H37NO2/c1-2-3-4-9-19-24-21-14-12-20(13-15-21)11-10-18-23-17-8-6-5-7-16-22/h12-15H,2-11,16-19,22H2,1H3
InChIKeyFNQPFCVYXQRMSW-UHFFFAOYSA-N
XLogP5.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.53
LogP ≤ 55.11
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

4-(4-heptylphenoxy)butan-1-amine
CID 164576429
3-(4-hexadecoxyphenyl)propan-1-amine
CID 170867453
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
1-hexoxy-4-pentylbenzene
CID 54277450
2-(4-heptylphenoxy)ethanamine;hydrochloride
CID 164576424
3-(4-hexoxyphenoxy)propan-1-amine
CID 90318959
[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396
[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017
1-nonoxy-4-propylbenzene
CID 118632119
1-hexyl-4-(2-propoxyethoxy)benzene
CID 91210467
(4-decoxyphenyl)methanamine
CID 55187501
1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine?
The IUPAC name of 6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine (CID 158087179) is 6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine.
What is the SMILES notation for 6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine?
The canonical SMILES for 6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine is CCCCCCOc1ccc(CCCOCCCCCCN)cc1.
What is the InChIKey of 6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine?
The InChIKey is FNQPFCVYXQRMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO2/c1-2-3-4-9-19-24-21-14-12-20(13-15-21)11-10-18-23-17-8-6-5-7-16-22/h12-15H,2-11,16-19,22H2,1H3.
What are the key properties of 6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine?
6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine has a molecular weight of 335.53 g/mol, XLogP of 5.11, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine is sourced from PubChem (CID 158087179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).