2-heptoxy-1-(4-propylphenyl)ethanamine

C18H31NO — CID 43127468

IUPAC2-heptoxy-1-(4-propylphenyl)ethanamine
SMILESCCCCCCCOCC(N)c1ccc(CCC)cc1
InChIInChI=1S/C18H31NO/c1-3-5-6-7-8-14-20-15-18(19)17-12-10-16(9-4-2)11-13-17/h10-13,18H,3-9,14-15,19H2,1-2H3
InChIKeyWVXKYIWRMDKZOV-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.63
Rot. Bonds11

About 2-heptoxy-1-(4-propylphenyl)ethanamine

2-heptoxy-1-(4-propylphenyl)ethanamine (PubChem CID 43127468) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-heptoxy-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-heptoxy-1-(4-propylphenyl)ethanamine
PubChem CID43127468
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-heptoxy-1-(4-propylphenyl)ethanamine
SMILESCCCCCCCOCC(N)c1ccc(CCC)cc1
InChIInChI=1S/C18H31NO/c1-3-5-6-7-8-14-20-15-18(19)17-12-10-16(9-4-2)11-13-17/h10-13,18H,3-9,14-15,19H2,1-2H3
InChIKeyWVXKYIWRMDKZOV-UHFFFAOYSA-N
XLogP4.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.63
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

2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine
CID 43127522
N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine
CID 63475832
2-pentoxy-1-phenylethanamine
CID 43275081
2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43127517
2-cyclobutyloxy-1-(4-propylphenyl)ethanamine
CID 62139683
3-propoxy-1-(4-propylphenyl)propan-1-amine
CID 105144351
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
1-[4-(2-methoxyethyl)phenyl]decan-1-amine
CID 65449887
2-heptoxy-1-(3-methylphenyl)ethanamine
CID 61309696
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
2-amino-2-(4-octylphenyl)ethanol
CID 19881300
2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine
CID 43094130

Frequently Asked Questions

What is the IUPAC name of 2-heptoxy-1-(4-propylphenyl)ethanamine?
The IUPAC name of 2-heptoxy-1-(4-propylphenyl)ethanamine (CID 43127468) is 2-heptoxy-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for 2-heptoxy-1-(4-propylphenyl)ethanamine?
The canonical SMILES for 2-heptoxy-1-(4-propylphenyl)ethanamine is CCCCCCCOCC(N)c1ccc(CCC)cc1.
What is the InChIKey of 2-heptoxy-1-(4-propylphenyl)ethanamine?
The InChIKey is WVXKYIWRMDKZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-3-5-6-7-8-14-20-15-18(19)17-12-10-16(9-4-2)11-13-17/h10-13,18H,3-9,14-15,19H2,1-2H3.
What are the key properties of 2-heptoxy-1-(4-propylphenyl)ethanamine?
2-heptoxy-1-(4-propylphenyl)ethanamine has a molecular weight of 277.45 g/mol, XLogP of 4.63, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptoxy-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 43127468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).