(3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine

C17H27NO2 — CID 71480450

IUPAC(3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine
SMILESC=CCCCC[C@@H](N)CCOCc1ccc(OC)cc1
InChIInChI=1S/C17H27NO2/c1-3-4-5-6-7-16(18)12-13-20-14-15-8-10-17(19-2)11-9-15/h3,8-11,16H,1,4-7,12-14,18H2,2H3/t16-/m1/s1
InChIKeyFNDPLGSVZSAFGK-MRXNPFEDSA-N
MW277.41 g/mol
LogP3.68
Rot. Bonds11

About (3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine

(3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine (PubChem CID 71480450) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine.

Molecular Properties

Compound Name(3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine
PubChem CID71480450
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine
SMILESC=CCCCC[C@@H](N)CCOCc1ccc(OC)cc1
InChIInChI=1S/C17H27NO2/c1-3-4-5-6-7-16(18)12-13-20-14-15-8-10-17(19-2)11-9-15/h3,8-11,16H,1,4-7,12-14,18H2,2H3/t16-/m1/s1
InChIKeyFNDPLGSVZSAFGK-MRXNPFEDSA-N
XLogP3.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 46900175
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CID 25186279
(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257
1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]hepta-3,6-dienoxy]methyl]benzene
CID 101454626
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 101232292
(3S)-1-[(4-methoxyphenyl)methoxy]hexa-4,5-dien-3-ol
CID 11770384
1-[[(E,6R)-8-bromo-6-methylnon-7-enoxy]methyl]-4-methoxybenzene
CID 11279700
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
CID 44629947
8-(4-methoxyphenyl)octan-4-amine
CID 65442846

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine?
The IUPAC name of (3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine (CID 71480450) is (3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine.
What is the SMILES notation for (3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine?
The canonical SMILES for (3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine is C=CCCCC[C@@H](N)CCOCc1ccc(OC)cc1.
What is the InChIKey of (3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine?
The InChIKey is FNDPLGSVZSAFGK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-4-5-6-7-16(18)12-13-20-14-15-8-10-17(19-2)11-9-15/h3,8-11,16H,1,4-7,12-14,18H2,2H3/t16-/m1/s1.
What are the key properties of (3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine?
(3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine has a molecular weight of 277.41 g/mol, XLogP of 3.68, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine is sourced from PubChem (CID 71480450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).