(1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine

C17H29NO — CID 78944050

IUPAC(1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine
SMILESCCCCC(CC)COc1ccccc1[C@H](N)CC
InChIInChI=1S/C17H29NO/c1-4-7-10-14(5-2)13-19-17-12-9-8-11-15(17)16(18)6-3/h8-9,11-12,14,16H,4-7,10,13,18H2,1-3H3/t14?,16-/m1/s1
InChIKeyQRZQDMWHQBIRNB-BZSJEYESSA-N
MW263.43 g/mol
LogP4.69
Rot. Bonds9

About (1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine

(1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine (PubChem CID 78944050) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is (1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine
PubChem CID78944050
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name(1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine
SMILESCCCCC(CC)COc1ccccc1[C@H](N)CC
InChIInChI=1S/C17H29NO/c1-4-7-10-14(5-2)13-19-17-12-9-8-11-15(17)16(18)6-3/h8-9,11-12,14,16H,4-7,10,13,18H2,1-3H3/t14?,16-/m1/s1
InChIKeyQRZQDMWHQBIRNB-BZSJEYESSA-N
XLogP4.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
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CID 63485887
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-(2-ethylhexoxy)-2-iodobenzene
CID 63531465
1-(2-ethylhexoxy)-2-[2-(2-ethylhexoxy)-6-methylphenyl]-3-methylbenzene
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1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine
CID 63499413
CID 174954511
CID 174954511
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
1-(2-octan-2-yloxyphenyl)propan-1-amine
CID 112678434
(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171214274
1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine
CID 43127460

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine (CID 78944050) is (1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine is CCCCC(CC)COc1ccccc1[C@H](N)CC.
What is the InChIKey of (1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine?
The InChIKey is QRZQDMWHQBIRNB-BZSJEYESSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-7-10-14(5-2)13-19-17-12-9-8-11-15(17)16(18)6-3/h8-9,11-12,14,16H,4-7,10,13,18H2,1-3H3/t14?,16-/m1/s1.
What are the key properties of (1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine?
(1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine is sourced from PubChem (CID 78944050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).