2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine

C18H31NO2 — CID 43127517

IUPAC2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCCCCCCCOCC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-4-5-6-7-8-13-20-14-18(19)16-9-11-17(12-10-16)21-15(2)3/h9-12,15,18H,4-8,13-14,19H2,1-3H3
InChIKeyOLVMGZHWWPROMJ-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.46
Rot. Bonds11

About 2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine

2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 43127517) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID43127517
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCCCCCCCOCC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-4-5-6-7-8-13-20-14-18(19)16-9-11-17(12-10-16)21-15(2)3/h9-12,15,18H,4-8,13-14,19H2,1-3H3
InChIKeyOLVMGZHWWPROMJ-UHFFFAOYSA-N
XLogP4.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.46
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

2-heptoxy-1-(4-propylphenyl)ethanamine
CID 43127468
2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43184192
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
2-pentoxy-1-phenylethanamine
CID 43275081
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 54944095
2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine
CID 43127522
2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103487616
1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16785577
1-(4-propan-2-yloxyphenyl)nonylhydrazine
CID 105304165
2-heptoxy-1-(3-methylphenyl)ethanamine
CID 61309696
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758

Frequently Asked Questions

What is the IUPAC name of 2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine (CID 43127517) is 2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine is CCCCCCCOCC(N)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is OLVMGZHWWPROMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-5-6-7-8-13-20-14-18(19)16-9-11-17(12-10-16)21-15(2)3/h9-12,15,18H,4-8,13-14,19H2,1-3H3.
What are the key properties of 2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine?
2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 293.45 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 43127517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).