(1S)-1-(2-heptoxyphenyl)ethanamine

C15H25NO — CID 78936557

IUPAC(1S)-1-(2-heptoxyphenyl)ethanamine
SMILESCCCCCCCOc1ccccc1[C@H](C)N
InChIInChI=1S/C15H25NO/c1-3-4-5-6-9-12-17-15-11-8-7-10-14(15)13(2)16/h7-8,10-11,13H,3-6,9,12,16H2,1-2H3/t13-/m0/s1
InChIKeyKUVHDGWZNARPDA-ZDUSSCGKSA-N
MW235.37 g/mol
LogP4.06
Rot. Bonds8

About (1S)-1-(2-heptoxyphenyl)ethanamine

(1S)-1-(2-heptoxyphenyl)ethanamine (PubChem CID 78936557) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (1S)-1-(2-heptoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-heptoxyphenyl)ethanamine
PubChem CID78936557
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(1S)-1-(2-heptoxyphenyl)ethanamine
SMILESCCCCCCCOc1ccccc1[C@H](C)N
InChIInChI=1S/C15H25NO/c1-3-4-5-6-9-12-17-15-11-8-7-10-14(15)13(2)16/h7-8,10-11,13H,3-6,9,12,16H2,1-2H3/t13-/m0/s1
InChIKeyKUVHDGWZNARPDA-ZDUSSCGKSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.06
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

(1S)-1-(2-octoxyphenyl)ethanamine
CID 78944069
1-octoxy-2-propan-2-ylbenzene
CID 64765685
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
(1S)-1-(2-octoxyphenyl)ethanol
CID 55223229
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592
(1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine
CID 79004773
(1R)-1-[2-(2-propoxyethoxy)phenyl]ethanamine
CID 78948142
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
CID 63486431
2-amino-1-(2-hexoxyphenyl)ethanol
CID 102543640
(1R)-2-amino-1-(2-hexoxyphenyl)ethanol
CID 124500421

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-heptoxyphenyl)ethanamine?
The IUPAC name of (1S)-1-(2-heptoxyphenyl)ethanamine (CID 78936557) is (1S)-1-(2-heptoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-heptoxyphenyl)ethanamine?
The canonical SMILES for (1S)-1-(2-heptoxyphenyl)ethanamine is CCCCCCCOc1ccccc1[C@H](C)N.
What is the InChIKey of (1S)-1-(2-heptoxyphenyl)ethanamine?
The InChIKey is KUVHDGWZNARPDA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-4-5-6-9-12-17-15-11-8-7-10-14(15)13(2)16/h7-8,10-11,13H,3-6,9,12,16H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-(2-heptoxyphenyl)ethanamine?
(1S)-1-(2-heptoxyphenyl)ethanamine has a molecular weight of 235.37 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-heptoxyphenyl)ethanamine is sourced from PubChem (CID 78936557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).